4-hexadecyl-4-methyl-thiomorpholin-4-ium; methanesulfonate

Systemtic Name: 4-hexadecyl-4-methyl-thiomorpholin-4-ium; methanesulfonate Openeye Name: 4-hexadecyl-4-methyl-thiomorpholin-4-ium; methanesulfonate CAS Name: 4-hexadecyl-4-methylthiomorpholin-4-ium; methanesulfonate IUPAC Name: 4-hexadecyl-4-methylthiomorpholin-4-ium; methanesulfonate Traditional Name: 4-cetyl-4-methyl-thiomorpholin-4-ium mesylate Formula: C22H47NO3S2 MolecularWeight: 437.74348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCSCC1)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCSCC1)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H44NS.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)18-20-23-21-19-22;1-5(2,3)4/h3-21H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1