4-hexadecyl-1,4-dimethyl-thiomorpholine-1,4-diium; methyl hydrogen sulfate

Systemtic Name: 4-hexadecyl-1,4-dimethyl-thiomorpholine-1,4-diium; methyl hydrogen sulfate Openeye Name: 4-hexadecyl-1,4-dimethyl-thiomorpholine-1,4-diium; methyl hydrogen sulfate CAS Name: 4-hexadecyl-1,4-dimethylthiomorpholine-1,4-diium; sulfuric acid methyl ester IUPAC Name: 4-hexadecyl-1,4-dimethylthiomorpholine-1,4-diium; methyl hydrogen sulfate Traditional Name: 4-cetyl-1,4-dimethyl-thiomorpholine-1,4-diium; sulfuric acid methyl ester Formula: C23H51NO4S2+2 MolecularWeight: 469.78534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC[S+](CC1)C)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CC[S+](CC1)C)C.COS(=O)(=O)O

InChI

InChI=1S/C22H47NS.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2)19-21-24(3)22-20-23;1-5-6(2,3)4/h4-22H2,1-3H3;1H3,(H,2,3,4)/q+2;