hexadecyl-dimethyl-(2-octanoyloxyethyl)azanium chloride

Systemtic Name: hexadecyl-dimethyl-(2-octanoyloxyethyl)azanium chloride Openeye Name: hexadecyl-dimethyl-(2-octanoyloxyethyl)ammonium chloride CAS Name: hexadecyl-dimethyl-[2-(1-oxooctoxy)ethyl]ammonium chloride IUPAC Name: hexadecyl-dimethyl-(2-octanoyloxyethyl)azanium chloride Traditional Name: 2-caprylyloxyethyl-cetyl-dimethyl-ammonium chloride Formula: C28H58ClNO2 MolecularWeight: 476.21862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCC.[Cl-]

InChI

InChI=1S/C28H58NO2.ClH/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-29(3,4)26-27-31-28(30)24-22-20-10-8-6-2;/h5-27H2,1-4H3;1H/q+1;/p-1