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

Systemtic Name: 5-[4-(4-chlorophenyl)-1-methyl-4-oxidanyl-piperidin-1-ium-1-yl]-2-naphthalen-2-yl-pentanenitrile iodide Openeye Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-piperidin-1-ium-1-yl]-2-(2-naphthyl)pentanenitrile iodide CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-1-piperidin-1-iumyl]-2-(2-naphthalenyl)pentanenitrile iodide IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-2-naphthalen-2-ylpentanenitrile iodide Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-methyl-piperidin-1-ium-1-yl]-2-(2-naphthyl)valeronitrile iodide Formula: C27H30ClIN2O MolecularWeight: 560.89737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C27H30ClN2O.HI/c1-30(17-14-27(31,15-18-30)25-10-12-26(28)13-11-25)16-4-7-24(20-29)23-9-8-21-5-2-3-6-22(21)19-23;/h2-3,5-6,8-13,19,24,31H,4,7,14-18H2,1H3;1H/q+1;/p-1