methyl 4-[[3-(1H-benzimidazol-3-ium-2-yl)-4-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(1H-benzimidazol-3-ium-2-yl)-4-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxy-phenyl]carbamoyl]benzoate CAS Name: 4-[[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxyanilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxyphenyl]carbamoyl]benzoate Traditional Name: 4-[[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxy-phenyl]carbamoyl]benzoic acid methyl ester Formula: C22H18N3O4+ MolecularWeight: 388.39602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)C3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)C3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C22H17N3O4/c1-29-22(28)14-8-6-13(7-9-14)21(27)23-15-10-11-19(26)16(12-15)20-24-17-4-2-3-5-18(17)25-20/h2-12,26H,1H3,(H,23,27)(H,24,25)/p+1