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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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