2-[methyl-[(2-pyridin-1-ium-4-yl-3H-benzimidazol-5-yl)carbonyl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[methyl-[(2-pyridin-1-ium-4-yl-3H-benzimidazol-5-yl)carbonyl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[methyl-(2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carbonyl)amino]-4-phenyl-butanoic acid CAS Name: 2-[methyl-[oxo-[2-(4-pyridin-1-iumyl)-3H-benzimidazol-5-yl]methyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[methyl-(2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carbonyl)amino]-4-phenylbutanoic acid Traditional Name: 2-[methyl-(2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carbonyl)amino]-4-phenyl-butyric acid Formula: C24H23N4O3+ MolecularWeight: 415.46442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC1=CC=CC=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

Isomeric SMILES

CN(C(CCC1=CC=CC=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C24H22N4O3/c1-28(21(24(30)31)10-7-16-5-3-2-4-6-16)23(29)18-8-9-19-20(15-18)27-22(26-19)17-11-13-25-14-12-17/h2-6,8-9,11-15,21H,7,10H2,1H3,(H,26,27)(H,30,31)/p+1