4-(2-ethoxy-3-hexadecylsulfanyl-propoxy)butyl-trimethyl-azanium bromide

Systemtic Name: 4-(2-ethoxy-3-hexadecylsulfanyl-propoxy)butyl-trimethyl-azanium bromide Openeye Name: 4-(2-ethoxy-3-hexadecylsulfanyl-propoxy)butyl-trimethyl-ammonium bromide CAS Name: 4-[2-ethoxy-3-(hexadecylthio)propoxy]butyl-trimethylammonium bromide IUPAC Name: 4-(2-ethoxy-3-hexadecylsulfanylpropoxy)butyl-trimethylazanium bromide Traditional Name: 4-[3-(cetylthio)-2-ethoxy-propoxy]butyl-trimethyl-ammonium bromide Formula: C28H60BrNO2S MolecularWeight: 554.7505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COCCCC[N+](C)(C)C)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COCCCC[N+](C)(C)C)OCC.[Br-]

InChI

InChI=1S/C28H60NO2S.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-25-32-27-28(31-7-2)26-30-24-21-20-23-29(3,4)5;/h28H,6-27H2,1-5H3;1H/q+1;/p-1