1-hexadecyl-1-methyl-pyrrolidin-1-ium; methyl-oxidanidyl-bis(oxidanyl)-oxidanylidene-$l^{6}-sulfane

Systemtic Name: 1-hexadecyl-1-methyl-pyrrolidin-1-ium; methyl-oxidanidyl-bis(oxidanyl)-oxidanylidene-$l^{6}-sulfane Openeye Name: dihydroxy-methyl-oxido-oxo-$l^{6}-sulfane; 1-hexadecyl-1-methyl-pyrrolidin-1-ium CAS Name: dihydroxy-methyl-oxido-oxo-$l^{6}-sulfane; 1-hexadecyl-1-methylpyrrolidin-1-ium IUPAC Name: dihydroxy-methyl-oxido-oxo-$l^{6}-sulfane; 1-hexadecyl-1-methylpyrrolidin-1-ium Traditional Name: 1-cetyl-1-methyl-pyrrolidin-1-ium; dihydroxy-keto-methyl-oxido-$l^{6}-sulfane Formula: C22H49NO4S MolecularWeight: 423.69376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCC1)C.CS(=O)(O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCC1)C.CS(=O)(O)(O)[O-]

InChI

InChI=1S/C21H44N.CH6O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(2)20-17-18-21-22;1-6(2,3,4)5/h3-21H2,1-2H3;1H3,(H3,2,3,4,5)/q+1;/p-1