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

Systemtic Name: ethyl 1-cyclobutyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-cyclobutyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-cyclobutyl-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclobutyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-cyclobutyl-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27F3NO2+ MolecularWeight: 370.42909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H26F3NO2/c1-2-26-18(25)19(10-12-24(13-11-19)16-7-5-8-16)14-15-6-3-4-9-17(15)20(21,22)23/h3-4,6,9,16H,2,5,7-8,10-14H2,1H3/p+1