3-[dimethyl(octadecyl)azaniumyl]propyl-dimethyl-(2-oxidanyloctadecyl)azanium dichloride

Systemtic Name: 3-[dimethyl(octadecyl)azaniumyl]propyl-dimethyl-(2-oxidanyloctadecyl)azanium dichloride Openeye Name: 3-[dimethyl(octadecyl)ammonio]propyl-(2-hydroxyoctadecyl)-dimethyl-ammonium dichloride CAS Name: 3-[dimethyl(octadecyl)ammonio]propyl-(2-hydroxyoctadecyl)-dimethylammonium dichloride IUPAC Name: 3-[dimethyl(octadecyl)azaniumyl]propyl-(2-hydroxyoctadecyl)-dimethylazanium dichloride Traditional Name: 3-[dimethyl(stearyl)ammonio]propyl-(2-hydroxyoctadecyl)-dimethyl-ammonium dichloride Formula: C43H92Cl2N2O MolecularWeight: 724.10938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CC(CCCCCCCCCCCCCCCC)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CC(CCCCCCCCCCCCCCCC)O.[Cl-].[Cl-]

InChI

InChI=1S/C43H92N2O.2ClH/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-39-44(3,4)40-37-41-45(5,6)42-43(46)38-35-33-31-29-27-25-22-20-18-16-14-12-10-8-2;;/h43,46H,7-42H2,1-6H3;2*1H/q+2;;/p-2