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

Systemtic Name: ethyl 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[2-(4-fluorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-(4-fluorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C16H15BrFNO3 MolecularWeight: 368.197603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FNO3.BrH/c1-2-21-16(20)13-4-3-9-18(10-13)11-15(19)12-5-7-14(17)8-6-12;/h3-10H,2,11H2,1H3;1H/q+1;/p-1