(4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate; methyl hydrogen sulfate

Systemtic Name: (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate; methyl hydrogen sulfate Openeye Name: (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate; methyl hydrogen sulfate CAS Name: sulfuric acid (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl ester; sulfuric acid methyl ester IUPAC Name: (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate; methyl hydrogen sulfate Traditional Name: sulfuric acid (4-cetyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl ester; sulfuric acid methyl ester Formula: C24H54NO8S3+ MolecularWeight: 580.88246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCS(CC1)(C)OS(=O)(=O)OC)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCS(CC1)(C)OS(=O)(=O)OC)C.COS(=O)(=O)O

InChI

InChI=1S/C23H50NO4S2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2)20-22-29(4,23-21-24)28-30(25,26)27-3;1-5-6(2,3)4/h5-23H2,1-4H3;1H3,(H,2,3,4)/q+1;