1-(4-fluorophenyl)-4-[4-(4-methylphenyl)-4-oxidanyl-piperidin-1-ium-1-yl]butan-1-one chloride

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(4-methylphenyl)-4-oxidanyl-piperidin-1-ium-1-yl]butan-1-one chloride Openeye Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(p-tolyl)piperidin-1-ium-1-yl]butan-1-one chloride CAS Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidin-1-iumyl]-1-butanone chloride IUPAC Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-ium-1-yl]butan-1-one chloride Traditional Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-(p-tolyl)piperidin-1-ium-1-yl]butan-1-one chloride Formula: C22H27ClFNO2 MolecularWeight: 391.906683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)O.[Cl-]

InChI

InChI=1S/C22H26FNO2.ClH/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18;/h4-11,26H,2-3,12-16H2,1H3;1H