3-[[2-(4-carbamimidoylphenyl)-1-methyl-3-oxidanidyl-benzimidazol-3-ium-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-3-oxidanidyl-benzimidazol-3-ium-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-3-oxido-benzimidazol-3-ium-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-3-oxido-5-benzimidazol-3-iumyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-3-oxidobenzimidazol-3-ium-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-3-oxido-benzimidazol-3-ium-5-carbonyl]amino]propionic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)[N+](=C1C3=CC=C(C=C3)C(=N)N)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)[N+](=C1C3=CC=C(C=C3)C(=N)N)[O-]

InChI

InChI=1S/C19H19N5O4/c1-23-14-7-6-13(18(27)22-9-8-16(25)26)10-15(14)24(28)19(23)12-4-2-11(3-5-12)17(20)21/h2-7,10H,8-9H2,1H3,(H3,20,21)(H,22,27)(H,25,26)