(2E)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E)-2-(10,10-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]indol-5-ium-9-ylidene)ethylidene]-3,3-dimethyl-indole-5-sulfonic acid

Systemtic Name: (2E)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E)-2-(10,10-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]indol-5-ium-9-ylidene)ethylidene]-3,3-dimethyl-indole-5-sulfonic acid Openeye Name: (2E)-2-[(2E)-2-(10,10-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]indol-5-ium-9-ylidene)ethylidene]-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-3,3-dimethyl-indoline-5-sulfonic acid CAS Name: (2E)-2-[(2E)-2-(10,10-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]indol-5-ium-9-ylidene)ethylidene]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3,3-dimethyl-5-indolesulfonic acid IUPAC Name: (2E)-2-[(2E)-2-(10,10-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]indol-5-ium-9-ylidene)ethylidene]-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethylindole-5-sulfonic acid Traditional Name: (2E)-2-[(2E)-2-(10,10-dimethyl-7,8-dihydro-6H-pyrid[1,2-a]indol-5-ium-9-ylidene)ethylidene]-1-(6-keto-6-succinimidooxy-hexyl)-3,3-dimethyl-indoline-5-sulfonic acid Formula: C36H42N3O7S+ MolecularWeight: 660.79958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+]3=C1C(=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)O)(C)C)CCC3)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+]3=C1/C(=C/C=C/4\C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)C

InChI

InChI=1S/C36H41N3O7S/c1-35(2)27-23-25(47(43,44)45)16-17-29(27)37(21-9-5-6-14-33(42)46-39-31(40)19-20-32(39)41)30(35)18-15-24-11-10-22-38-28-13-8-7-12-26(28)36(3,4)34(24)38/h7-8,12-13,15-18,23H,5-6,9-11,14,19-22H2,1-4H3/p+1