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

Systemtic Name: methyl 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 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 methyl ester bromide IUPAC Name: methyl 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 methyl ester bromide Formula: C15H13BrFNO3 MolecularWeight: 354.171023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FNO3.BrH/c1-20-15(19)12-3-2-8-17(9-12)10-14(18)11-4-6-13(16)7-5-11;/h2-9H,10H2,1H3;1H/q+1;/p-1