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

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-(2-dimethylaminoethyl)quinolin-1-ium-8-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-1-(2-dimethylaminoethyl)quinolin-1-ium-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-1-(2-dimethylaminoethyl)-8-quinolin-1-iumsulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-1-(2-dimethylaminoethyl)quinolin-1-ium-8-sulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]-1-(2-dimethylaminoethyl)quinolin-1-ium-8-sulfonamide Formula: C29H29N6O2S+ MolecularWeight: 525.64456

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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)CCN(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)CCN(C)C)N=C1CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H29N6O2S/c1-33(2)16-17-35-15-5-7-23-6-4-8-27(29(23)35)38(36,37)32-24-13-14-26-25(19-24)31-28(34(26)3)18-21-9-11-22(20-30)12-10-21/h4-15,19,32H,16-18H2,1-3H3/q+1