2,2-dioctadecoxyethyl-(1-hydroxyethyl)-methyl-azanium; methoxy sulfate

Systemtic Name: 2,2-dioctadecoxyethyl-(1-hydroxyethyl)-methyl-azanium; methoxy sulfate Openeye Name: 2,2-dioctadecoxyethyl-(1-hydroxyethyl)-methyl-ammonium; methoxy sulfate CAS Name: 2,2-dioctadecoxyethyl-(1-hydroxyethyl)-methylammonium; methoxy sulfate IUPAC Name: 2,2-dioctadecoxyethyl-(1-hydroxyethyl)-methylazanium; methoxy sulfate Traditional Name: 2,2-distearyloxyethyl-(1-hydroxyethyl)-methyl-ammonium; methoxy sulfate Formula: C42H89NO8S MolecularWeight: 768.22296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C[NH+](C)C(C)O)OCCCCCCCCCCCCCCCCCC.COOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C[NH+](C)C(C)O)OCCCCCCCCCCCCCCCCCC.COOS(=O)(=O)[O-]

InChI

InChI=1S/C41H85NO3.CH4O5S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-41(39-42(4)40(3)43)45-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6-7(2,3)4/h40-41,43H,5-39H2,1-4H3;1H3,(H,2,3,4)