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

Systemtic Name: 1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]azetidine-2-carboxylic acid Openeye Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-ium-1-yl]azetidine-2-carboxylic acid CAS Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]-2-azetidinecarboxylic acid IUPAC Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]azetidine-2-carboxylic acid Traditional Name: 1-[2-[(4-amidinoanilino)methyl]-5-(2-keto-1-methyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]azetidine-2-carboxylic acid Formula: C27H34N7O3+ MolecularWeight: 504.60396

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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)N4CCC4C(=O)O)C(=O)N5CCCC5

Isomeric SMILES

CC(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)N4CCC4C(=O)O)C(=O)N5CCCC5

InChI

InChI=1S/C27H33N7O3/c1-17(26(35)32-12-3-4-13-32)19-7-10-23-21(15-19)31-24(34(23,2)33-14-11-22(33)27(36)37)16-30-20-8-5-18(6-9-20)25(28)29/h5-10,15,17,22H,3-4,11-14,16H2,1-2H3,(H4-,28,29,30,36,37)/p+1