4-[[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]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[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]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-4-keto-butyric acid Formula: C28H36N7O4+ MolecularWeight: 534.62994

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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)NC(=O)CCC(=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)NC(=O)CCC(=O)O)C(=O)N4CCCC4

InChI

InChI=1S/C28H35N7O4/c1-28(2,27(39)34-14-4-5-15-34)19-8-11-22-21(16-19)32-23(35(22,3)33-24(36)12-13-25(37)38)17-31-20-9-6-18(7-10-20)26(29)30/h6-11,16H,4-5,12-15,17H2,1-3H3,(H5-,29,30,31,33,36,37,38)/p+1