bis[2,3-bis(oxidanyl)propyl]-methyl-(2-oxidanyldodecyl)azanium; methyl sulfate

Systemtic Name: bis[2,3-bis(oxidanyl)propyl]-methyl-(2-oxidanyldodecyl)azanium; methyl sulfate Openeye Name: bis(2,3-dihydroxypropyl)-(2-hydroxydodecyl)-methyl-ammonium; methyl sulfate CAS Name: bis(2,3-dihydroxypropyl)-(2-hydroxydodecyl)-methylammonium; methyl sulfate IUPAC Name: bis(2,3-dihydroxypropyl)-(2-hydroxydodecyl)-methylazanium; methyl sulfate Traditional Name: diglyceryl-(2-hydroxydodecyl)-methyl-ammonium; methyl sulfate Formula: C20H45NO9S MolecularWeight: 475.6376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42NO5.CH4O4S/c1-3-4-5-6-7-8-9-10-11-17(23)12-20(2,13-18(24)15-21)14-19(25)16-22;1-5-6(2,3)4/h17-19,21-25H,3-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1