[2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]-(2-dimethylaminoethyl)-quinolin-8-yl-sulfo-azanium

Systemtic Name: [2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]-(2-dimethylaminoethyl)-quinolin-8-yl-sulfo-azanium Openeye Name: [2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxo-ethyl)benzimidazol-5-yl]-(2-dimethylaminoethyl)-(8-quinolyl)-sulfo-ammonium CAS Name: [2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxoethyl)-5-benzimidazolyl]-(2-dimethylaminoethyl)-(8-quinolinyl)-sulfoammonium IUPAC Name: [2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxoethyl)benzimidazol-5-yl]-(2-dimethylaminoethyl)-quinolin-8-yl-sulfoazanium Traditional Name: [2-(4-amidinobenzyl)-1-(2-ethoxy-2-keto-ethyl)benzimidazol-5-yl]-(2-dimethylaminoethyl)-(8-quinolyl)-sulfo-ammonium Formula: C32H36N7O5S+ MolecularWeight: 630.73714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](CCN(C)C)(C3=CC=CC4=C3N=CC=C4)S(=O)(=O)O)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](CCN(C)C)(C3=CC=CC4=C3N=CC=C4)S(=O)(=O)O)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C32H35N7O5S/c1-4-44-30(40)21-38-27-15-14-25(20-26(27)36-29(38)19-22-10-12-24(13-11-22)32(33)34)39(45(41,42)43,18-17-37(2)3)28-9-5-7-23-8-6-16-35-31(23)28/h5-16,20H,4,17-19,21H2,1-3H3,(H3-,33,34,41,42,43)/p+1