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

Systemtic Name: ethyl 1-cyclopentyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-cyclopentyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-cyclopentyl-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopentyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-cyclopentyl-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29F3NO2+ MolecularWeight: 384.45567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCCC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCCC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H28F3NO2/c1-2-27-19(26)20(11-13-25(14-12-20)17-8-4-5-9-17)15-16-7-3-6-10-18(16)21(22,23)24/h3,6-7,10,17H,2,4-5,8-9,11-15H2,1H3/p+1