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

Systemtic Name: hexadecyl-dimethyl-[3-(2-methylprop-2-enoxy)-2-oxidanyl-propyl]azanium chloride Openeye Name: hexadecyl-[2-hydroxy-3-(2-methylallyloxy)propyl]-dimethyl-ammonium chloride CAS Name: hexadecyl-[2-hydroxy-3-(2-methylprop-2-enoxy)propyl]-dimethylammonium chloride IUPAC Name: hexadecyl-[2-hydroxy-3-(2-methylprop-2-enoxy)propyl]-dimethylazanium chloride Traditional Name: cetyl-[2-hydroxy-3-(2-methylallyloxy)propyl]-dimethyl-ammonium chloride Formula: C25H52ClNO2 MolecularWeight: 434.13888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H52NO2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(4,5)21-25(27)23-28-22-24(2)3;/h25,27H,2,6-23H2,1,3-5H3;1H/q+1;/p-1