1-(4-fluorophenyl)-4-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one chloride

Systemtic Name: 1-(4-fluorophenyl)-4-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one chloride Openeye Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one chloride CAS Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidin-1-iumyl]-1-butanone chloride IUPAC Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one chloride Traditional Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one chloride Formula: C22H24ClF4NO2 MolecularWeight: 445.878073

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]

InChI

InChI=1S/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H