ethyl (3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[2-(trifluoromethyl)phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(trifluoromethyl)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21F3NO2+ MolecularWeight: 316.33865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H20F3NO2/c1-2-22-15(21)13-7-5-9-20(11-13)10-12-6-3-4-8-14(12)16(17,18)19/h3-4,6,8,13H,2,5,7,9-11H2,1H3/p+1/t13-/m1/s1