N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-(2-morpholin-4-ylethyl)quinolin-1-ium-8-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-(2-morpholin-4-ylethyl)quinolin-1-ium-8-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-(2-morpholinoethyl)quinolin-1-ium-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-1-[2-(4-morpholinyl)ethyl]-8-quinolin-1-iumsulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-1-(2-morpholin-4-ylethyl)quinolin-1-ium-8-sulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]-1-(2-morpholinoethyl)quinolin-1-ium-8-sulfonamide Formula: C31H31N6O3S+ MolecularWeight: 567.68124

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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)CCN5CCOCC5)N=C1CC6=CC=C(C=C6)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CCN5CCOCC5)N=C1CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H31N6O3S/c1-35-28-12-11-26(21-27(28)33-30(35)20-23-7-9-24(22-32)10-8-23)34-41(38,39)29-6-2-4-25-5-3-13-37(31(25)29)15-14-36-16-18-40-19-17-36/h2-13,21,34H,14-20H2,1H3/q+1