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

Systemtic Name: ethyl 1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-isopropylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(1-propan-2-yl-4-piperidin-1-iumyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(1-isopropylpiperidin-1-ium-4-yl)-4-[2-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C24H36F3N2O2+ MolecularWeight: 441.55005

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2CC[NH+](CC2)C(C)C)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2CC[NH+](CC2)C(C)C)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C24H35F3N2O2/c1-4-31-22(30)23(17-19-7-5-6-8-21(19)24(25,26)27)11-15-29(16-12-23)20-9-13-28(14-10-20)18(2)3/h5-8,18,20H,4,9-17H2,1-3H3/p+1