12450 -OEChem-06281817453D 62 64 0 0 0 0 0 0 0999 V2000 -4.5853 -1.9559 0.0763 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9393 -1.5155 -0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 1.1055 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.3517 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 0.4165 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5227 -1.2352 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6898 -0.8618 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 -3.4399 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9386 -1.3436 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 -1.8724 -1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 -1.8516 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 2.5845 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -1.1000 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 0.9821 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 0.1120 1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 0.1042 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -1.8702 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 0.2487 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 -0.5344 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.5424 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 -3.9337 1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4057 -1.1190 -1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -3.1656 -1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3504 -0.6528 1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3071 3.2424 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 3.2504 1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 4.6301 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 4.6381 1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 5.3278 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4386 -3.8108 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7097 -3.8083 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6127 -2.0544 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9669 -0.4467 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6404 -2.0277 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5216 -1.0631 -2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3463 -2.6432 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9288 -2.2917 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 -1.6179 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 2.0579 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3944 0.3620 2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 0.3482 -2.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 -2.9415 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 0.7797 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -0.7552 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 -0.7683 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -3.5837 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 -3.6026 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4352 -5.0284 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7596 -0.4196 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4318 -2.0541 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4185 -0.7032 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1223 -3.9864 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -3.0910 -2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5018 -3.4399 -2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 -0.2815 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 0.1797 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8805 -0.9363 2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 2.7094 -2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 2.7239 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 5.1672 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 5.1816 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 6.4083 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 22 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 23 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 24 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 25 2 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 38 1 0 0 0 0 14 18 2 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 20 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 28 2 0 0 0 0 26 59 1 0 0 0 0 27 29 2 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 M CHG 1 1 1 M END > DB11279 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HXCILVUBKWANLN-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC > InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1 > HXCILVUBKWANLN-UHFFFAOYSA-N > C27H33N2 > 385.574 > 385.263825491 > 1 > 62 > 47.390365967295885 > 1 > 0 > 1 > 0 > 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium > 2.47 > 2.714699088861588 > -6.15 > 1 > 3 > 1 > 5.3601718248964225 > 6.25 > 150.5697 > 7 > 1 > 3.00e-04 g/l > 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium > 1 $$$$