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

Systemtic Name: methyl hydrogen sulfate; 4-methyl-4-pentadecyl-thiomorpholin-4-ium Openeye Name: methyl hydrogen sulfate; 4-methyl-4-pentadecyl-thiomorpholin-4-ium CAS Name: 4-methyl-4-pentadecylthiomorpholin-4-ium; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 4-methyl-4-pentadecylthiomorpholin-4-ium Traditional Name: 4-methyl-4-pentadecyl-thiomorpholin-4-ium; sulfuric acid methyl ester Formula: C21H46NO4S2+ MolecularWeight: 440.72424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42NS.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(2)17-19-22-20-18-21;1-5-6(2,3)4/h3-20H2,1-2H3;1H3,(H,2,3,4)/q+1;