4-[(1-methylbenzimidazol-2-yl)methylazaniumyl]benzoate

Systemtic Name: 4-[(1-methylbenzimidazol-2-yl)methylazaniumyl]benzoate Openeye Name: 4-[(1-methylbenzimidazol-2-yl)methylammonio]benzoate CAS Name: 4-[(1-methyl-2-benzimidazolyl)methylammonio]benzoate IUPAC Name: 4-[(1-methylbenzimidazol-2-yl)methylazaniumyl]benzoate Traditional Name: 4-[(1-methylbenzimidazol-2-yl)methylammonio]benzoate Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH2+]C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH2+]C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H15N3O2/c1-19-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,20,21)