2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]amino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]acetic acid Formula: C26H34N7O3+ MolecularWeight: 492.59326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NCC(=O)O)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NCC(=O)O)C(=O)N4CCCC4

InChI

InChI=1S/C26H33N7O3/c1-26(2,25(36)32-12-4-5-13-32)18-8-11-21-20(14-18)31-22(33(21,3)30-16-23(34)35)15-29-19-9-6-17(7-10-19)24(27)28/h6-11,14,30H,4-5,12-13,15-16H2,1-3H3,(H4-,27,28,29,34,35)/p+1