methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate

Systemtic Name: methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate Openeye Name: methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate CAS Name: 1-phenyl-3H-benzimidazol-1-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate Traditional Name: 1-phenyl-3H-benzimidazol-1-ium-4-carboxylic acid methyl ester Formula: C15H13N2O2+ MolecularWeight: 253.27592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)[N+](=CN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)[N+](=CN2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O2/c1-19-15(18)12-8-5-9-13-14(12)16-10-17(13)11-6-3-2-4-7-11/h2-10H,1H3/p+1