ethyl 1-(1-ethylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-ethylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-ethylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(1-ethyl-4-piperidin-1-iumyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(1-ethylpiperidin-1-ium-4-yl)-4-[2-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C23H34F3N2O2+ MolecularWeight: 427.52347

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCC(CC2)(CC3=CC=CC=C3C(F)(F)F)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC(CC2)(CC3=CC=CC=C3C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C23H33F3N2O2/c1-3-27-13-9-19(10-14-27)28-15-11-22(12-16-28,21(29)30-4-2)17-18-7-5-6-8-20(18)23(24,25)26/h5-8,19H,3-4,9-17H2,1-2H3/p+1