2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-[ethyl(methyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]-3-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-[ethyl(methyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]-3-oxidanylidene-butanoic acid hydrochloride Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[2-[ethyl(methyl)amino]-1,1-dimethyl-2-oxo-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]-3-oxo-butanoic acid hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-[ethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1-methyl-1-benzimidazol-1-iumyl]amino]-3-oxobutanoic acid hydrochloride IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-[ethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1-methylbenzimidazol-1-ium-1-yl]amino]-3-oxobutanoic acid hydrochloride Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-[2-[ethyl(methyl)amino]-2-keto-1,1-dimethyl-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]-3-keto-butyric acid hydrochloride Formula: C27H37ClN7O4+ MolecularWeight: 559.08018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C(C)(C)C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NC(C(=O)C)C(=O)O.Cl

Isomeric SMILES

CCN(C)C(=O)C(C)(C)C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NC(C(=O)C)C(=O)O.Cl

InChI

InChI=1S/C27H35N7O4.ClH/c1-7-33(5)26(38)27(3,4)18-10-13-21-20(14-18)31-22(34(21,6)32-23(16(2)35)25(36)37)15-30-19-11-8-17(9-12-19)24(28)29;/h8-14,23,32H,7,15H2,1-6H3,(H4-,28,29,30,36,37);1H/p+1