[3-(2-methylprop-2-enoxy)-2-oxidanyl-propyl]-trioctadecyl-azanium chloride

Systemtic Name: [3-(2-methylprop-2-enoxy)-2-oxidanyl-propyl]-trioctadecyl-azanium chloride Openeye Name: [2-hydroxy-3-(2-methylallyloxy)propyl]-trioctadecyl-ammonium chloride CAS Name: [2-hydroxy-3-(2-methylprop-2-enoxy)propyl]-trioctadecylammonium chloride IUPAC Name: [2-hydroxy-3-(2-methylprop-2-enoxy)propyl]-trioctadecylazanium chloride Traditional Name: [2-hydroxy-3-(2-methylallyloxy)propyl]-tristearyl-ammonium chloride Formula: C61H124ClNO2 MolecularWeight: 939.09576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C61H124NO2.ClH/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-62(57-61(63)59-64-58-60(4)5,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3;/h61,63H,4,6-59H2,1-3,5H3;1H/q+1;/p-1