bis(2-hexadecanoyloxyethyl)-dimethyl-azanium; methyl sulfate

Systemtic Name: bis(2-hexadecanoyloxyethyl)-dimethyl-azanium; methyl sulfate Openeye Name: bis(2-hexadecanoyloxyethyl)-dimethyl-ammonium; methyl sulfate CAS Name: dimethyl-bis[2-(1-oxohexadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: bis(2-hexadecanoyloxyethyl)-dimethylazanium; methyl sulfate Traditional Name: bis(2-hexadecanoyloxyethyl)-dimethyl-ammonium; methyl sulfate Formula: C39H79NO8S MolecularWeight: 722.11146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C38H76NO4.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(40)42-35-33-39(3,4)34-36-43-38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-36H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1