methyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-[4-(trifluoromethyl)benzyl]piperidin-1-ium-4-yl]acetic acid methyl ester Formula: C16H21F3NO2+ MolecularWeight: 316.33865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CC1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H20F3NO2/c1-22-15(21)10-12-6-8-20(9-7-12)11-13-2-4-14(5-3-13)16(17,18)19/h2-5,12H,6-11H2,1H3/p+1