3-[dimethyl(2-oxidanyldocosyl)azaniumyl]propyl-docosyl-dimethyl-azanium dichloride

Systemtic Name: 3-[dimethyl(2-oxidanyldocosyl)azaniumyl]propyl-docosyl-dimethyl-azanium dichloride Openeye Name: docosyl-[3-[2-hydroxydocosyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dichloride CAS Name: docosyl-[3-[2-hydroxydocosyl(dimethyl)ammonio]propyl]-dimethylammonium dichloride IUPAC Name: docosyl-[3-[2-hydroxydocosyl(dimethyl)azaniumyl]propyl]-dimethylazanium dichloride Traditional Name: behenyl-[3-[2-hydroxydocosyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dichloride Formula: C51H108Cl2N2O MolecularWeight: 836.32202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CC(CCCCCCCCCCCCCCCCCCCC)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CC(CCCCCCCCCCCCCCCCCCCC)O.[Cl-].[Cl-]

InChI

InChI=1S/C51H108N2O.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-47-52(3,4)48-45-49-53(5,6)50-51(54)46-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-2;;/h51,54H,7-50H2,1-6H3;2*1H/q+2;;/p-2