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

Systemtic Name: 2,3-bis(oxidanyl)propyl-methyl-(2-oxidanyldodecyl)-propan-2-yl-azanium; methyl sulfate Openeye Name: 2,3-dihydroxypropyl-(2-hydroxydodecyl)-isopropyl-methyl-ammonium; methyl sulfate CAS Name: 2,3-dihydroxypropyl-(2-hydroxydodecyl)-methyl-propan-2-ylammonium; methyl sulfate IUPAC Name: 2,3-dihydroxypropyl-(2-hydroxydodecyl)-methyl-propan-2-ylazanium; methyl sulfate Traditional Name: glyceryl-(2-hydroxydodecyl)-isopropyl-methyl-ammonium; methyl sulfate Formula: C20H45NO7S MolecularWeight: 443.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42NO3.CH4O4S/c1-5-6-7-8-9-10-11-12-13-18(22)14-20(4,17(2)3)15-19(23)16-21;1-5-6(2,3)4/h17-19,21-23H,5-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1