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

Systemtic Name: methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate chloride Openeye Name: methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate chloride CAS Name: 1-phenyl-3H-benzimidazol-1-ium-4-carboxylic acid methyl ester chloride IUPAC Name: methyl 1-phenyl-3H-benzimidazol-1-ium-4-carboxylate chloride Traditional Name: 1-phenyl-3H-benzimidazol-1-ium-4-carboxylic acid methyl ester chloride Formula: C15H13ClN2O2 MolecularWeight: 288.72892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O2.ClH/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;1H