5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-2-naphthalen-2-yl-pentanenitrile iodide

Systemtic Name: 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-2-naphthalen-2-yl-pentanenitrile iodide Openeye Name: 5-[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-2-(2-naphthyl)pentanenitrile iodide CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidin-1-iumyl]-2-(2-naphthalenyl)pentanenitrile iodide IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-2-naphthalen-2-ylpentanenitrile iodide Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-2-(2-naphthyl)valeronitrile iodide Formula: C26H28ClIN2O MolecularWeight: 546.87079

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C26H27ClN2O.HI/c27-25-11-9-24(10-12-25)26(30)13-16-29(17-14-26)15-3-6-23(19-28)22-8-7-20-4-1-2-5-21(20)18-22;/h1-2,4-5,7-12,18,23,30H,3,6,13-17H2;1H