ethyl 4-[[5-fluoranyl-2-(4-fluorophenyl)carbonyl-phenoxy]methyl]pyridin-1-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-fluoranyl-2-(4-fluorophenyl)carbonyl-phenoxy]methyl]pyridin-1-ium-1-carboxylate Openeye Name: ethyl 4-[[5-fluoro-2-(4-fluorobenzoyl)phenoxy]methyl]pyridin-1-ium-1-carboxylate CAS Name: 4-[[5-fluoro-2-[(4-fluorophenyl)-oxomethyl]phenoxy]methyl]-1-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-fluoro-2-(4-fluorobenzoyl)phenoxy]methyl]pyridin-1-ium-1-carboxylate Traditional Name: 4-[[5-fluoro-2-(4-fluorobenzoyl)phenoxy]methyl]pyridin-1-ium-1-carboxylic acid ethyl ester Formula: C22H18F2NO4+ MolecularWeight: 398.379426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=CC=C(C=C1)COC2=C(C=CC(=C2)F)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[N+]1=CC=C(C=C1)COC2=C(C=CC(=C2)F)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18F2NO4/c1-2-28-22(27)25-11-9-15(10-12-25)14-29-20-13-18(24)7-8-19(20)21(26)16-3-5-17(23)6-4-16/h3-13H,2,14H2,1H3/q+1