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

Systemtic Name: 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]butanoic acid Openeye Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-ium-1-yl]amino]butanoic acid CAS Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]amino]butanoic acid IUPAC Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]amino]butanoic acid Traditional Name: 4-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1-methyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]butyric acid Formula: C27H36N7O3+ MolecularWeight: 506.61984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O3/c1-18(27(37)33-14-3-4-15-33)20-9-12-23-22(16-20)32-24(34(23,2)31-13-5-6-25(35)36)17-30-21-10-7-19(8-11-21)26(28)29/h7-12,16,18,31H,3-6,13-15,17H2,1-2H3,(H4-,28,29,30,35,36)/p+1