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

Systemtic Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-dimethyl-(3-oxidanylpropyl)azanium Openeye Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammonium CAS Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethylammonium IUPAC Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethylazanium Traditional Name: (2-heptadecyl-1,3-dithiolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammonium Formula: C26H54NOS2+ MolecularWeight: 460.84306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1SCC(S1)C[N+](C)(C)CCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1SCC(S1)C[N+](C)(C)CCCO

InChI

InChI=1S/C26H54NOS2/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/q+1