2-hydroxyethyl-methyl-bis(1-octadecanoyloxyethyl)azanium; methyl sulfate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO5.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)48-40(3)44(5,38-39-45)41(4)49-43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h40-41,45H,6-39H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1