4-methyl-4-octadecyl-thiomorpholin-4-ium; methyl sulfate

Systemtic Name: 4-methyl-4-octadecyl-thiomorpholin-4-ium; methyl sulfate Openeye Name: 4-methyl-4-octadecyl-thiomorpholin-4-ium; methyl sulfate CAS Name: 4-methyl-4-octadecylthiomorpholin-4-ium; methyl sulfate IUPAC Name: 4-methyl-4-octadecylthiomorpholin-4-ium; methyl sulfate Traditional Name: 4-methyl-4-stearyl-thiomorpholin-4-ium; methyl sulfate Formula: C24H51NO4S2 MolecularWeight: 481.79604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCSCC1)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCSCC1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H48NS.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2)20-22-25-23-21-24;1-5-6(2,3)4/h3-23H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1