HMDB0032229 RDKit 3D Dimethyl dialkyl ammonium chloride 110109 0 0 0 0 0 0 0 0999 V2000 15.5862 0.0001 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7619 0.3236 -0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3339 0.7141 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 -0.4690 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5427 -0.4212 0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2577 -0.1825 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0537 1.1213 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 1.1986 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6354 1.0520 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2492 1.1699 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 1.0375 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.1614 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 0.1345 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 -1.2624 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -1.6958 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 -1.6610 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 -0.3707 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 -0.5404 0.2018 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.2163 -0.9313 1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 0.7955 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 -1.5205 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5922 -1.6707 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 -1.9260 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4741 -0.9344 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9788 0.2817 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6148 1.2590 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7484 0.8768 1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0425 0.4139 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1592 -0.8524 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4948 -1.2569 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6105 -1.5560 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1785 -0.5691 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6674 0.7050 0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7543 0.4437 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1643 1.7842 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6830 2.6875 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6049 -1.0852 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6369 0.3147 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1863 0.5663 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1674 1.1381 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5892 -0.6174 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8062 1.0241 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4771 1.5774 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6391 -0.8807 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7476 -1.3479 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 0.3051 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4347 -1.4498 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4649 -0.4083 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0695 -1.0229 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7594 1.3622 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0525 1.9357 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 0.3704 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 2.1343 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 0.1152 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 1.9260 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 0.3746 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2595 2.1430 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 0.0871 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2461 1.8970 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 1.2672 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 2.1580 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 0.2170 -1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 0.4473 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -1.9227 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 -1.5095 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -1.2344 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 -2.7981 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 -2.1484 1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 -2.4144 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 0.0378 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 0.3832 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 -0.1257 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -0.8711 2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 -1.9144 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 1.5341 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 1.0840 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 0.9646 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -1.5356 -1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 -2.5500 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -0.8234 -2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 -2.5549 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 -2.3805 -1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -2.8312 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3759 -1.4731 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9406 -0.5584 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 0.0223 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 0.7619 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7974 1.6154 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9051 2.1776 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 1.7087 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4038 0.0580 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7833 0.3566 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4814 1.2859 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4555 -0.8352 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7138 -1.7062 0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3105 -2.2167 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7524 -0.5359 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2725 -2.4334 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4606 -2.0476 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1898 -1.0597 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7073 -0.4006 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1524 1.2962 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8841 1.3359 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6726 0.0286 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3972 -0.2520 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9516 1.6120 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2790 2.2839 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9757 2.0682 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8969 3.4032 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5773 3.2267 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 7 51 1 0 8 52 1 0 8 53 1 0 9 54 1 0 9 55 1 0 10 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 19 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 36110 1 0 M CHG 1 18 1 M END