4-hexadecyl-4-methyl-thiomorpholin-4-ium; methyl hydrogen sulfate

Systemtic Name: 4-hexadecyl-4-methyl-thiomorpholin-4-ium; methyl hydrogen sulfate Openeye Name: 4-hexadecyl-4-methyl-thiomorpholin-4-ium; methyl hydrogen sulfate CAS Name: 4-hexadecyl-4-methylthiomorpholin-4-ium; sulfuric acid methyl ester IUPAC Name: 4-hexadecyl-4-methylthiomorpholin-4-ium; methyl hydrogen sulfate Traditional Name: 4-cetyl-4-methyl-thiomorpholin-4-ium; sulfuric acid methyl ester Formula: C22H48NO4S2+ MolecularWeight: 454.75082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H44NS.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)18-20-23-21-19-22;1-5-6(2,3)4/h3-21H2,1-2H3;1H3,(H,2,3,4)/q+1;