4-dodecyl-4-methyl-1,4-thiazinan-4-ium 1-oxide; methyl hydrogen sulfate

Systemtic Name: 4-dodecyl-4-methyl-1,4-thiazinan-4-ium 1-oxide; methyl hydrogen sulfate Openeye Name: 4-dodecyl-4-methyl-1,4-thiazinan-4-ium 1-oxide; methyl hydrogen sulfate CAS Name: 4-dodecyl-4-methyl-1,4-thiazinan-4-ium 1-oxide; sulfuric acid methyl ester IUPAC Name: 4-dodecyl-4-methyl-1,4-thiazinan-4-ium 1-oxide; methyl hydrogen sulfate Traditional Name: 4-lauryl-4-methyl-1,4-thiazinan-4-ium 1-oxide; sulfuric acid methyl ester Formula: C18H40NO5S2+ MolecularWeight: 414.6439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCS(=O)CC1)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCS(=O)CC1)C.COS(=O)(=O)O

InChI

InChI=1S/C17H36NOS.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)14-16-20(19)17-15-18;1-5-6(2,3)4/h3-17H2,1-2H3;1H3,(H,2,3,4)/q+1;