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

Systemtic Name: 5-[4-(4-chlorophenyl)-1-methyl-4-oxidanyl-piperidin-1-ium-1-yl]-2,2-diphenyl-pentanenitrile Openeye Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-piperidin-1-ium-1-yl]-2,2-diphenyl-pentanenitrile CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-1-piperidin-1-iumyl]-2,2-diphenylpentanenitrile IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-2,2-diphenylpentanenitrile Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-piperidin-1-ium-1-yl]-2,2-diphenyl-valeronitrile Formula: C29H32ClN2O+ MolecularWeight: 460.03018

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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

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

InChI

InChI=1S/C29H32ClN2O/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/q+1