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

Systemtic Name: ethyl 1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C17H18BrNO4 MolecularWeight: 380.23312

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18NO4.BrH/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;1H/q+1;/p-1