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

Systemtic Name: (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate Openeye Name: (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate CAS Name: sulfuric acid (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl ester IUPAC Name: (4-hexadecyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl sulfate Traditional Name: sulfuric acid (4-cetyl-1,4-dimethyl-1,4-thiazinan-4-ium-1-yl) methyl ester Formula: C23H50NO4S2+ MolecularWeight: 468.7774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H50NO4S2/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/h5-23H2,1-4H3/q+1