ethyl 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-methyl-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H23F3NO2+ MolecularWeight: 330.36523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H22F3NO2/c1-3-23-15(22)16(8-10-21(2)11-9-16)12-13-6-4-5-7-14(13)17(18,19)20/h4-7H,3,8-12H2,1-2H3/p+1