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

Systemtic Name: ethyl 1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2-pyridylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(2-pyridinylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-pyridylmethyl)-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H26F3N2O2+ MolecularWeight: 407.44925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=N2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=N2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O2/c1-2-29-20(28)21(15-17-7-3-4-9-19(17)22(23,24)25)10-13-27(14-11-21)16-18-8-5-6-12-26-18/h3-9,12H,2,10-11,13-16H2,1H3/p+1