ethyl 1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18NO4/c1-3-22-17(20)14-5-4-10-18(11-14)12-16(19)13-6-8-15(21-2)9-7-13/h4-11H,3,12H2,1-2H3/q+1