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]-methyl-amino]ethanoic 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]-methyl-amino]ethanoic 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]-methyl-amino]acetic 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]-methylamino]acetic 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]-methylamino]acetic 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]-methyl-amino]acetic acid hydrochloride Formula: C26H37ClN7O3+ MolecularWeight: 531.07008

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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)N(C)CC(=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)N(C)CC(=O)O.Cl

InChI

InChI=1S/C26H35N7O3.ClH/c1-7-31(4)25(36)26(2,3)18-10-13-21-20(14-18)30-22(33(21,6)32(5)16-23(34)35)15-29-19-11-8-17(9-12-19)24(27)28;/h8-14H,7,15-16H2,1-6H3,(H4-,27,28,29,34,35);1H/p+1