4-[1-methyl-4-[1-methyl-1-(4-oxidanyl-4,4-diphenyl-butyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol diiodide

Systemtic Name: 4-[1-methyl-4-[1-methyl-1-(4-oxidanyl-4,4-diphenyl-butyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol diiodide Openeye Name: 4-[4-[1-(4-hydroxy-4,4-diphenyl-butyl)-1-methyl-piperidin-1-ium-4-yl]-1-methyl-piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol diiodide CAS Name: 4-[4-[1-(4-hydroxy-4,4-diphenylbutyl)-1-methyl-4-piperidin-1-iumyl]-1-methyl-1-piperidin-1-iumyl]-1,1-diphenyl-1-butanol diiodide IUPAC Name: 4-[4-[1-(4-hydroxy-4,4-diphenylbutyl)-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium-1-yl]-1,1-diphenylbutan-1-ol diiodide Traditional Name: 4-[4-[1-(4-hydroxy-4,4-diphenyl-butyl)-1-methyl-piperidin-1-ium-4-yl]-1-methyl-piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol diiodide Formula: C44H58I2N2O2 MolecularWeight: 900.75246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCC(C5=CC=CC=C5)(C6=CC=CC=C6)O.[I-].[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCC(C5=CC=CC=C5)(C6=CC=CC=C6)O.[I-].[I-]

InChI

InChI=1S/C44H58N2O2.2HI/c1-45(31-15-29-43(47,39-17-7-3-8-18-39)40-19-9-4-10-20-40)33-25-37(26-34-45)38-27-35-46(2,36-28-38)32-16-30-44(48,41-21-11-5-12-22-41)42-23-13-6-14-24-42;;/h3-14,17-24,37-38,47-48H,15-16,25-36H2,1-2H3;2*1H/q+2;;/p-2