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

Systemtic Name: [3-(2-methylprop-2-enoxy)-2-oxidanyl-propyl]-trioctyl-azanium chloride Openeye Name: [2-hydroxy-3-(2-methylallyloxy)propyl]-trioctyl-ammonium chloride CAS Name: [2-hydroxy-3-(2-methylprop-2-enoxy)propyl]-trioctylammonium chloride IUPAC Name: [2-hydroxy-3-(2-methylprop-2-enoxy)propyl]-trioctylazanium chloride Traditional Name: [2-hydroxy-3-(2-methylallyloxy)propyl]-trioctyl-ammonium chloride Formula: C31H64ClNO2 MolecularWeight: 518.29836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H64NO2.ClH/c1-6-9-12-15-18-21-24-32(25-22-19-16-13-10-7-2,26-23-20-17-14-11-8-3)27-31(33)29-34-28-30(4)5;/h31,33H,4,6-29H2,1-3,5H3;1H/q+1;/p-1