(2-ethoxy-3-hexadecylsulfanyl-propyl)-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: (2-ethoxy-3-hexadecylsulfanyl-propyl)-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: (2-ethoxy-3-hexadecylsulfanyl-propyl)-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: [2-ethoxy-3-(hexadecylthio)propyl]-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: (2-ethoxy-3-hexadecylsulfanylpropyl)-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: [3-(cetylthio)-2-ethoxy-propyl]-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C25H54BrNO2S MolecularWeight: 512.67076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H54NO2S.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24-25(28-6-2)23-26(3,4)20-21-27;/h25,27H,5-24H2,1-4H3;1H/q+1;/p-1