N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-[3-(dimethylamino)propyl]quinolin-1-ium-8-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-[3-(dimethylamino)propyl]quinolin-1-ium-8-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-[3-(dimethylamino)propyl]quinolin-1-ium-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-1-[3-(dimethylamino)propyl]-8-quinolin-1-iumsulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-1-[3-(dimethylamino)propyl]quinolin-1-ium-8-sulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]-1-[3-(dimethylamino)propyl]quinolin-1-ium-8-sulfonamide Formula: C30H31N6O2S+ MolecularWeight: 539.67114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CCCN(C)C)N=C1CC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CCCN(C)C)N=C1CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H31N6O2S/c1-34(2)16-6-18-36-17-5-8-24-7-4-9-28(30(24)36)39(37,38)33-25-14-15-27-26(20-25)32-29(35(27)3)19-22-10-12-23(21-31)13-11-22/h4-5,7-15,17,20,33H,6,16,18-19H2,1-3H3/q+1