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

Systemtic Name: ethyl 4-[[5-fluoranyl-2-(phenylcarbonyl)phenoxy]methyl]pyridin-1-ium-1-carboxylate chloride Openeye Name: ethyl 4-[(2-benzoyl-5-fluoro-phenoxy)methyl]pyridin-1-ium-1-carboxylate chloride CAS Name: 4-[(2-benzoyl-5-fluorophenoxy)methyl]-1-pyridin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[(2-benzoyl-5-fluorophenoxy)methyl]pyridin-1-ium-1-carboxylate chloride Traditional Name: 4-[(2-benzoyl-5-fluoro-phenoxy)methyl]pyridin-1-ium-1-carboxylic acid ethyl ester chloride Formula: C22H19ClFNO4 MolecularWeight: 415.841963

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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=CC=C3.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19FNO4.ClH/c1-2-27-22(26)24-12-10-16(11-13-24)15-28-20-14-18(23)8-9-19(20)21(25)17-6-4-3-5-7-17;/h3-14H,2,15H2,1H3;1H/q+1;/p-1