ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21F3NO2+ MolecularWeight: 316.33865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

InChI

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