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

Systemtic Name: 4-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride Openeye Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride CAS Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidin-1-iumyl]-1-(4-fluorophenyl)-1-butanone chloride IUPAC Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride Traditional Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride Formula: C22H23Cl2F4NO2 MolecularWeight: 480.323133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClF4NO2.ClH/c23-19-8-5-16(14-18(19)22(25,26)27)21(30)9-12-28(13-10-21)11-1-2-20(29)15-3-6-17(24)7-4-15;/h3-8,14,30H,1-2,9-13H2;1H