(phenylmethyl) 3-methylimidazol-3-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-methylimidazol-3-ium-1-carboxylate Openeye Name: benzyl 3-methylimidazol-3-ium-1-carboxylate CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methylimidazol-3-ium-1-carboxylate Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid benzyl ester Formula: C12H13N2O2+ MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H13N2O2/c1-13-7-8-14(10-13)12(15)16-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1