ethyl 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-phenethyl-4-[3-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H29F3NO2+ MolecularWeight: 420.48777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H28F3NO2/c1-2-30-22(29)23(18-20-9-6-10-21(17-20)24(25,26)27)12-15-28(16-13-23)14-11-19-7-4-3-5-8-19/h3-10,17H,2,11-16,18H2,1H3/p+1