2-[dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azaniumyl]ethyl-dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azanium diiodide

Systemtic Name: 2-[dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azaniumyl]ethyl-dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azanium diiodide Openeye Name: (4-hydroxy-4,4-diphenyl-butyl)-[2-[(4-hydroxy-4,4-diphenyl-butyl)-dimethyl-ammonio]ethyl]-dimethyl-ammonium diiodide CAS Name: (4-hydroxy-4,4-diphenylbutyl)-[2-[(4-hydroxy-4,4-diphenylbutyl)-dimethylammonio]ethyl]-dimethylammonium diiodide IUPAC Name: (4-hydroxy-4,4-diphenylbutyl)-[2-[(4-hydroxy-4,4-diphenylbutyl)-dimethylazaniumyl]ethyl]-dimethylazanium diiodide Traditional Name: (4-hydroxy-4,4-diphenyl-butyl)-[2-[(4-hydroxy-4,4-diphenyl-butyl)-dimethyl-ammonio]ethyl]-dimethyl-ammonium diiodide Formula: C38H50I2N2O2 MolecularWeight: 820.62474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC[N+](C)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-].[I-]

Isomeric SMILES

C[N+](C)(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC[N+](C)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-].[I-]

InChI

InChI=1S/C38H50N2O2.2HI/c1-39(2,29-17-27-37(41,33-19-9-5-10-20-33)34-21-11-6-12-22-34)31-32-40(3,4)30-18-28-38(42,35-23-13-7-14-24-35)36-25-15-8-16-26-36;;/h5-16,19-26,41-42H,17-18,27-32H2,1-4H3;2*1H/q+2;;/p-2