(2-heptadecyl-1,3-dithiolan-4-yl)methyl-dimethyl-(3-oxidanylpropyl)azanium bromide

Systemtic Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-dimethyl-(3-oxidanylpropyl)azanium bromide Openeye Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammonium bromide CAS Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethylammonium bromide IUPAC Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethylazanium bromide Traditional Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammonium bromide Formula: C26H54BrNOS2 MolecularWeight: 540.74706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1SCC(S1)C[N+](C)(C)CCCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1SCC(S1)C[N+](C)(C)CCCO.[Br-]

InChI

InChI=1S/C26H54NOS2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26-29-24-25(30-26)23-27(2,3)21-19-22-28;/h25-26,28H,4-24H2,1-3H3;1H/q+1;/p-1