ethyl (3R)-1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(4-fluorophenyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(4-fluorophenyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(4-fluorophenyl)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21FNO3+ MolecularWeight: 294.341243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FNO3/c1-2-21-16(20)13-4-3-9-18(10-13)11-15(19)12-5-7-14(17)8-6-12/h5-8,13H,2-4,9-11H2,1H3/p+1/t13-/m1/s1