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

Systemtic Name: 2,3-bis(oxidanyl)propyl-ethyl-methyl-(2-oxidanyldodecyl)azanium; methyl sulfate Openeye Name: 2,3-dihydroxypropyl-ethyl-(2-hydroxydodecyl)-methyl-ammonium; methyl sulfate CAS Name: 2,3-dihydroxypropyl-ethyl-(2-hydroxydodecyl)-methylammonium; methyl sulfate IUPAC Name: 2,3-dihydroxypropyl-ethyl-(2-hydroxydodecyl)-methylazanium; methyl sulfate Traditional Name: ethyl-glyceryl-(2-hydroxydodecyl)-methyl-ammonium; methyl sulfate Formula: C19H43NO7S MolecularWeight: 429.61222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H40NO3.CH4O4S/c1-4-6-7-8-9-10-11-12-13-17(21)14-19(3,5-2)15-18(22)16-20;1-5-6(2,3)4/h17-18,20-22H,4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1