2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid CAS Name: 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid IUPAC Name: 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid Traditional Name: 2-[8-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid Formula: C27H25N6O4S+ MolecularWeight: 529.5902

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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)CC(=O)O)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C27H24N6O4S/c1-32-22-12-11-20(15-21(22)30-24(32)14-17-7-9-19(10-8-17)27(28)29)31-38(36,37)23-6-2-4-18-5-3-13-33(26(18)23)16-25(34)35/h2-13,15,31H,14,16H2,1H3,(H3-,28,29,34,35)/p+1