phenacyl 3-methylimidazol-3-ium-1-carboxylate

Systemtic Name: phenacyl 3-methylimidazol-3-ium-1-carboxylate Openeye Name: phenacyl 3-methylimidazol-3-ium-1-carboxylate CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-methylimidazol-3-ium-1-carboxylate Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid phenacyl ester Formula: C13H13N2O3+ MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N2O3/c1-14-7-8-15(10-14)13(17)18-9-12(16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1