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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H20F3NO2/c1-2-22-15(21)14-8-3-4-9-20(14)11-12-6-5-7-13(10-12)16(17,18)19/h5-7,10,14H,2-4,8-9,11H2,1H3/p+1/t14-/m0/s1