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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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