2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis[2-(1-oxooctadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-methyl-bis(2-stearoyloxyethyl)ammonium; methyl sulfate Formula: C44H89NO9S MolecularWeight: 808.24376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H86NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h45H,4-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1