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

Systemtic Name: 2,3-bis(oxidanyl)propyl-methyl-(2-oxidanyloctyl)azanium; methyl sulfate Openeye Name: 2,3-dihydroxypropyl-(2-hydroxyoctyl)-methyl-ammonium; methyl sulfate CAS Name: 2,3-dihydroxypropyl-(2-hydroxyoctyl)-methylammonium; methyl sulfate IUPAC Name: 2,3-dihydroxypropyl-(2-hydroxyoctyl)-methylazanium; methyl sulfate Traditional Name: glyceryl-(2-hydroxyoctyl)-methyl-ammonium; methyl sulfate Formula: C13H31NO7S MolecularWeight: 345.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27NO3.CH4O4S/c1-3-4-5-6-7-11(15)8-13(2)9-12(16)10-14;1-5-6(2,3)4/h11-12,14-16H,3-10H2,1-2H3;1H3,(H,2,3,4)