tridodecyl-[4-(tridodecylazaniumyl)butyl]azanium diiodide

Systemtic Name: tridodecyl-[4-(tridodecylazaniumyl)butyl]azanium diiodide Openeye Name: tridodecyl-[4-(tridodecylammonio)butyl]ammonium diiodide CAS Name: tridodecyl-[4-(tridodecylammonio)butyl]ammonium diiodide IUPAC Name: tridodecyl-[4-(tridodecylazaniumyl)butyl]azanium diiodide Traditional Name: trilauryl-[4-(trilaurylammonio)butyl]ammonium diiodide Formula: C76H158I2N2 MolecularWeight: 1353.89006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C76H158N2.2HI/c1-7-13-19-25-31-37-43-49-55-61-69-77(70-62-56-50-44-38-32-26-20-14-8-2,71-63-57-51-45-39-33-27-21-15-9-3)75-67-68-76-78(72-64-58-52-46-40-34-28-22-16-10-4,73-65-59-53-47-41-35-29-23-17-11-5)74-66-60-54-48-42-36-30-24-18-12-6;;/h7-76H2,1-6H3;2*1H/q+2;;/p-2