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

Systemtic Name: 2,3-bis(oxidanyl)propyl-methyl-octyl-azanium; methyl sulfate Openeye Name: 2,3-dihydroxypropyl-methyl-octyl-ammonium; methyl sulfate CAS Name: 2,3-dihydroxypropyl-methyl-octylammonium; methyl sulfate IUPAC Name: 2,3-dihydroxypropyl-methyl-octylazanium; methyl sulfate Traditional Name: glyceryl-methyl-octyl-ammonium; methyl sulfate Formula: C13H31NO6S MolecularWeight: 329.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](C)CC(CO)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[NH+](C)CC(CO)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H27NO2.CH4O4S/c1-3-4-5-6-7-8-9-13(2)10-12(15)11-14;1-5-6(2,3)4/h12,14-15H,3-11H2,1-2H3;1H3,(H,2,3,4)