methyl-dioctadecyl-(2-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name: methyl-dioctadecyl-(2-oxidanylpropyl)azanium; methyl sulfate Openeye Name: 2-hydroxypropyl-methyl-dioctadecyl-ammonium; methyl sulfate CAS Name: 2-hydroxypropyl-methyl-dioctadecylammonium; methyl sulfate IUPAC Name: 2-hydroxypropyl-methyl-dioctadecylazanium; methyl sulfate Traditional Name: 2-hydroxypropyl-methyl-distearyl-ammonium; methyl sulfate Formula: C41H87NO5S MolecularWeight: 706.19818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C40H84NO.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(4,39-40(3)42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h40,42H,5-39H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1