2,3-bis(oxidanyl)propyl-dodecyl-dimethyl-azanium; methyl sulfate

Systemtic Name: 2,3-bis(oxidanyl)propyl-dodecyl-dimethyl-azanium; methyl sulfate Openeye Name: 2,3-dihydroxypropyl-dodecyl-dimethyl-ammonium; methyl sulfate CAS Name: 2,3-dihydroxypropyl-dodecyl-dimethylammonium; methyl sulfate IUPAC Name: 2,3-dihydroxypropyl-dodecyl-dimethylazanium; methyl sulfate Traditional Name: glyceryl-lauryl-dimethyl-ammonium; methyl sulfate Formula: C18H41NO6S MolecularWeight: 399.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(CO)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(CO)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H38NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-18(2,3)15-17(20)16-19;1-5-6(2,3)4/h17,19-20H,4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1