Marvin 11151214132D 33 37 0 0 0 0 999 V2000 13.1379 -17.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1187 -15.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2555 -15.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4788 -15.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4979 -17.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2938 -17.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7541 -15.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5111 -16.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7848 -17.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9628 -15.2270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8263 -15.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 -15.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 -13.9120 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7203 -13.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9436 -13.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 -13.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4374 -11.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5938 -11.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7492 -11.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8598 -16.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5502 -17.6145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5176 -15.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8973 -11.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9732 -12.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3085 -10.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0493 -11.2797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6386 -10.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6567 -8.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 -7.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6648 -7.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3165 -8.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6832 -6.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0314 -5.3921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 26 1 0 0 0 0 19 23 1 0 0 0 0 25 28 1 0 0 0 0 29 28 2 0 0 0 0 27 25 2 0 0 0 0 30 29 1 0 0 0 0 31 27 1 0 0 0 0 31 30 2 0 0 0 0 33 32 3 0 0 0 0 29 32 1 0 0 0 0 M CHG 1 13 1 M END > CHEBI:70706 > vilazodone(1+) > An organic cation that is the conjugate acid of vilazodone. > 3 > vilazodone cation > 4-(2-carbamoyl-1-benzofuran-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-ium > C26H28N5O2 > 442.53280 > 442.22375 > 1 > NC(=O)c1cc2cc(ccc2o1)N1CC[NH+](CCCCc2c[nH]c3ccc(cc23)C#N)CC1 > InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)/p+1 > SGEGOXDYSFKCPT-UHFFFAOYSA-O $$$$