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

Systemtic Name: ethyl 1-(2-hydroxyethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2-hydroxyethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(2-hydroxyethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxyethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxyethyl)-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25F3NO3+ MolecularWeight: 360.39121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24F3NO3/c1-2-25-16(24)17(7-9-22(10-8-17)11-12-23)13-14-5-3-4-6-15(14)18(19,20)21/h3-6,23H,2,7-13H2,1H3/p+1