4-[1-butyl-4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one iodide

Systemtic Name: 4-[1-butyl-4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one iodide Openeye Name: 4-[1-butyl-4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one iodide CAS Name: 4-[1-butyl-4-(4-chlorophenyl)-4-hydroxy-1-piperidin-1-iumyl]-1-(4-fluorophenyl)-1-butanone iodide IUPAC Name: 4-[1-butyl-4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one iodide Traditional Name: 4-[1-butyl-4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one iodide Formula: C25H32ClFINO2 MolecularWeight: 559.882953

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.[I-]

Isomeric SMILES

CCCC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.[I-]

InChI

InChI=1S/C25H32ClFNO2.HI/c1-2-3-16-28(17-4-5-24(29)20-6-12-23(27)13-7-20)18-14-25(30,15-19-28)21-8-10-22(26)11-9-21;/h6-13,30H,2-5,14-19H2,1H3;1H/q+1;/p-1