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

Systemtic Name: bis[2,3-bis(oxidanyl)propyl]-dodecyl-methyl-azanium; methyl sulfate Openeye Name: bis(2,3-dihydroxypropyl)-dodecyl-methyl-ammonium; methyl sulfate CAS Name: bis(2,3-dihydroxypropyl)-dodecyl-methylammonium; methyl sulfate IUPAC Name: bis(2,3-dihydroxypropyl)-dodecyl-methylazanium; methyl sulfate Traditional Name: diglyceryl-lauryl-methyl-ammonium; methyl sulfate Formula: C20H45NO8S MolecularWeight: 459.6382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-20(2,14-18(23)16-21)15-19(24)17-22;1-5-6(2,3)4/h18-19,21-24H,3-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1