(2-methoxy-3-octadecylsulfanyl-propyl)-dimethyl-(3-oxidanylpropyl)azanium bromide

Systemtic Name: (2-methoxy-3-octadecylsulfanyl-propyl)-dimethyl-(3-oxidanylpropyl)azanium bromide Openeye Name: 3-hydroxypropyl-(2-methoxy-3-octadecylsulfanyl-propyl)-dimethyl-ammonium bromide CAS Name: 3-hydroxypropyl-[2-methoxy-3-(octadecylthio)propyl]-dimethylammonium bromide IUPAC Name: 3-hydroxypropyl-(2-methoxy-3-octadecylsulfanylpropyl)-dimethylazanium bromide Traditional Name: 3-hydroxypropyl-[2-methoxy-3-(stearylthio)propyl]-dimethyl-ammonium bromide Formula: C27H58BrNO2S MolecularWeight: 540.72392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)OC.[Br-]

InChI

InChI=1S/C27H58NO2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-26-27(30-4)25-28(2,3)22-21-23-29;/h27,29H,5-26H2,1-4H3;1H/q+1;/p-1