3-[dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azaniumyl]propyl-dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azanium diiodide

Systemtic Name: 3-[dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azaniumyl]propyl-dimethyl-(4-oxidanyl-4,4-diphenyl-butyl)azanium diiodide Openeye Name: (4-hydroxy-4,4-diphenyl-butyl)-[3-[(4-hydroxy-4,4-diphenyl-butyl)-dimethyl-ammonio]propyl]-dimethyl-ammonium diiodide CAS Name: (4-hydroxy-4,4-diphenylbutyl)-[3-[(4-hydroxy-4,4-diphenylbutyl)-dimethylammonio]propyl]-dimethylammonium diiodide IUPAC Name: (4-hydroxy-4,4-diphenylbutyl)-[3-[(4-hydroxy-4,4-diphenylbutyl)-dimethylazaniumyl]propyl]-dimethylazanium diiodide Traditional Name: (4-hydroxy-4,4-diphenyl-butyl)-[3-[(4-hydroxy-4,4-diphenyl-butyl)-dimethyl-ammonio]propyl]-dimethyl-ammonium diiodide Formula: C39H52I2N2O2 MolecularWeight: 834.65132

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C39H52N2O2.2HI/c1-40(2,30-17-28-38(42,34-20-9-5-10-21-34)35-22-11-6-12-23-35)32-19-33-41(3,4)31-18-29-39(43,36-24-13-7-14-25-36)37-26-15-8-16-27-37;;/h5-16,20-27,42-43H,17-19,28-33H2,1-4H3;2*1H/q+2;;/p-2