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

Systemtic Name: ethyl 1-(oxan-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-tetrahydropyran-4-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(4-oxanyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(oxan-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-tetrahydropyran-4-yl-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29F3NO3+ MolecularWeight: 400.45507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H28F3NO3/c1-2-28-19(26)20(15-16-5-3-4-6-18(16)21(22,23)24)9-11-25(12-10-20)17-7-13-27-14-8-17/h3-6,17H,2,7-15H2,1H3/p+1