phenyl 3-ethanoylpyridin-1-ium-1-carboxylate

Systemtic Name: phenyl 3-ethanoylpyridin-1-ium-1-carboxylate Openeye Name: phenyl 3-acetylpyridin-1-ium-1-carboxylate CAS Name: 3-acetyl-1-pyridin-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 3-acetylpyridin-1-ium-1-carboxylate Traditional Name: 3-acetylpyridin-1-ium-1-carboxylic acid phenyl ester Formula: C14H12NO3+ MolecularWeight: 242.24998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H12NO3/c1-11(16)12-6-5-9-15(10-12)14(17)18-13-7-3-2-4-8-13/h2-10H,1H3/q+1