ethyl sulfate; triethyl(2-octanoyloxyethyl)azanium

Systemtic Name: ethyl sulfate; triethyl(2-octanoyloxyethyl)azanium Openeye Name: ethyl sulfate; triethyl(2-octanoyloxyethyl)ammonium CAS Name: ethyl sulfate; triethyl-[2-(1-oxooctoxy)ethyl]ammonium IUPAC Name: ethyl sulfate; triethyl(2-octanoyloxyethyl)azanium Traditional Name: 2-caprylyloxyethyl(triethyl)ammonium; ethyl sulfate Formula: C18H39NO6S MolecularWeight: 397.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C16H34NO2.C2H6O4S/c1-5-9-10-11-12-13-16(18)19-15-14-17(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-15H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1