1-methyl-3-(1-methyl-4-oxidanyl-3,5-diphenyl-piperidin-1-ium-4-yl)-3,5-diphenyl-piperidin-4-one iodide

Systemtic Name: 1-methyl-3-(1-methyl-4-oxidanyl-3,5-diphenyl-piperidin-1-ium-4-yl)-3,5-diphenyl-piperidin-4-one iodide Openeye Name: 3-(4-hydroxy-1-methyl-3,5-diphenyl-piperidin-1-ium-4-yl)-1-methyl-3,5-diphenyl-piperidin-4-one iodide CAS Name: 3-(4-hydroxy-1-methyl-3,5-diphenyl-4-piperidin-1-iumyl)-1-methyl-3,5-diphenyl-4-piperidinone iodide IUPAC Name: 3-(4-hydroxy-1-methyl-3,5-diphenylpiperidin-1-ium-4-yl)-1-methyl-3,5-diphenylpiperidin-4-one iodide Traditional Name: 3-(4-hydroxy-1-methyl-3,5-diphenyl-piperidin-1-ium-4-yl)-1-methyl-3,5-diphenyl-4-piperidone iodide Formula: C36H39IN2O2 MolecularWeight: 658.61153

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(C(C(C1)C2=CC=CC=C2)(C3(CN(CC(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)O)C6=CC=CC=C6.[I-]

Isomeric SMILES

C[NH+]1CC(C(C(C1)C2=CC=CC=C2)(C3(CN(CC(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)O)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C36H38N2O2.HI/c1-37-24-32(28-17-9-4-10-18-28)36(40,33(25-37)29-19-11-5-12-20-29)35(30-21-13-6-14-22-30)26-38(2)23-31(34(35)39)27-15-7-3-8-16-27;/h3-22,31-33,40H,23-26H2,1-2H3;1H