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

Systemtic Name: 5-[4-(4-chlorophenyl)-1-methyl-4-oxidanyl-piperidin-1-ium-1-yl]-2,2-diphenyl-pentanenitrile iodide Openeye Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-piperidin-1-ium-1-yl]-2,2-diphenyl-pentanenitrile iodide CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-1-piperidin-1-iumyl]-2,2-diphenylpentanenitrile iodide IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-2,2-diphenylpentanenitrile iodide Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-piperidin-1-ium-1-yl]-2,2-diphenyl-valeronitrile iodide Formula: C29H32ClIN2O MolecularWeight: 586.93465

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C29H32ClN2O.HI/c1-32(21-18-29(33,19-22-32)26-13-15-27(30)16-14-26)20-8-17-28(23-31,24-9-4-2-5-10-24)25-11-6-3-7-12-25;/h2-7,9-16,33H,8,17-22H2,1H3;1H/q+1;/p-1