methyl 4-(phenylcarbonyl)-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: methyl 4-(phenylcarbonyl)-1H-imidazol-3-ium-5-carboxylate Openeye Name: methyl 4-benzoyl-1H-imidazol-3-ium-5-carboxylate CAS Name: 4-benzoyl-1H-imidazol-3-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 4-benzoyl-1H-imidazol-3-ium-5-carboxylate Traditional Name: 4-benzoyl-1H-imidazol-3-ium-5-carboxylic acid methyl ester Formula: C12H11N2O3+ MolecularWeight: 231.22734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([NH+]=CN1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C([NH+]=CN1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H10N2O3/c1-17-12(16)10-9(13-7-14-10)11(15)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)/p+1