3-[dimethyl(2-oxidanyldodecyl)azaniumyl]propyl-dodecyl-dimethyl-azanium dichloride

Systemtic Name: 3-[dimethyl(2-oxidanyldodecyl)azaniumyl]propyl-dodecyl-dimethyl-azanium dichloride Openeye Name: dodecyl-[3-[2-hydroxydodecyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dichloride CAS Name: dodecyl-[3-[2-hydroxydodecyl(dimethyl)ammonio]propyl]-dimethylammonium dichloride IUPAC Name: dodecyl-[3-[2-hydroxydodecyl(dimethyl)azaniumyl]propyl]-dimethylazanium dichloride Traditional Name: 2-hydroxydodecyl-[3-[lauryl(dimethyl)ammonio]propyl]-dimethyl-ammonium dichloride Formula: C31H68Cl2N2O MolecularWeight: 555.79042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CC(CCCCCCCCCC)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CC(CCCCCCCCCC)O.[Cl-].[Cl-]

InChI

InChI=1S/C31H68N2O.2ClH/c1-7-9-11-13-15-17-18-20-22-24-27-32(3,4)28-25-29-33(5,6)30-31(34)26-23-21-19-16-14-12-10-8-2;;/h31,34H,7-30H2,1-6H3;2*1H/q+2;;/p-2