ethyl 1-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-methyl-2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[1-(4-methylphenyl)-1-oxopropan-2-yl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methylphenyl)-1-oxopropan-2-yl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-1-methyl-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NO3/c1-4-22-18(21)16-9-11-19(12-10-16)14(3)17(20)15-7-5-13(2)6-8-15/h5-12,14H,4H2,1-3H3/q+1