ethyl 4-[2-chloranyl-2-(2-fluorophenyl)ethanoyl]thiomorpholin-4-ium-4-carboxylate

Systemtic Name: ethyl 4-[2-chloranyl-2-(2-fluorophenyl)ethanoyl]thiomorpholin-4-ium-4-carboxylate Openeye Name: ethyl 4-[2-chloro-2-(2-fluorophenyl)acetyl]thiomorpholin-4-ium-4-carboxylate CAS Name: 4-[2-chloro-2-(2-fluorophenyl)-1-oxoethyl]-4-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-2-(2-fluorophenyl)acetyl]thiomorpholin-4-ium-4-carboxylate Traditional Name: 4-[2-chloro-2-(2-fluorophenyl)acetyl]thiomorpholin-4-ium-4-carboxylic acid ethyl ester Formula: C15H18ClFNO3S+ MolecularWeight: 346.824723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCSCC1)C(=O)C(C2=CC=CC=C2F)Cl

Isomeric SMILES

CCOC(=O)[N+]1(CCSCC1)C(=O)C(C2=CC=CC=C2F)Cl

InChI

InChI=1S/C15H18ClFNO3S/c1-2-21-15(20)18(7-9-22-10-8-18)14(19)13(16)11-5-3-4-6-12(11)17/h3-6,13H,2,7-10H2,1H3/q+1