4-[[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzoic acid IUPAC Name: 4-[[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzoic acid Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)N

InChI

InChI=1S/C21H17N3O2/c22-17-11-9-15(10-12-17)20-23-18-3-1-2-4-19(18)24(20)13-14-5-7-16(8-6-14)21(25)26/h1-12H,13H2,(H3,22,23,25,26)/p+1