dimethyl-octadecyl-(2-oxidanyl-3-prop-2-enoxy-propyl)azanium ethanoate

Systemtic Name: dimethyl-octadecyl-(2-oxidanyl-3-prop-2-enoxy-propyl)azanium ethanoate Openeye Name: (3-allyloxy-2-hydroxy-propyl)-dimethyl-octadecyl-ammonium acetate CAS Name: (2-hydroxy-3-prop-2-enoxypropyl)-dimethyl-octadecylammonium acetate IUPAC Name: (2-hydroxy-3-prop-2-enoxypropyl)-dimethyl-octadecylazanium acetate Traditional Name: (3-allyloxy-2-hydroxy-propyl)-dimethyl-stearyl-ammonium acetate Formula: C28H57NO4 MolecularWeight: 471.75648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54NO2.C2H4O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(3,4)24-26(28)25-29-23-6-2;1-2(3)4/h6,26,28H,2,5,7-25H2,1,3-4H3;1H3,(H,3,4)/q+1;/p-1