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

Systemtic Name: [3-[dimethyl(octadecyl)azaniumyl]-2-oxidanyl-propyl]-dimethyl-octadecyl-azanium dichloride Openeye Name: [3-[dimethyl(octadecyl)ammonio]-2-hydroxy-propyl]-dimethyl-octadecyl-ammonium dichloride CAS Name: [3-[dimethyl(octadecyl)ammonio]-2-hydroxypropyl]-dimethyl-octadecylammonium dichloride IUPAC Name: [3-[dimethyl(octadecyl)azaniumyl]-2-hydroxypropyl]-dimethyl-octadecylazanium dichloride Traditional Name: [3-[dimethyl(stearyl)ammonio]-2-hydroxy-propyl]-dimethyl-stearyl-ammonium dichloride Formula: C43H92Cl2N2O MolecularWeight: 724.10938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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