ethyl-methyl-bis(1-octadecanoyloxyethyl)azanium; methyl sulfate

Systemtic Name: ethyl-methyl-bis(1-octadecanoyloxyethyl)azanium; methyl sulfate Openeye Name: ethyl-methyl-bis(1-octadecanoyloxyethyl)ammonium; methyl sulfate CAS Name: ethyl-methyl-bis[1-(1-oxooctadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: ethyl-methyl-bis(1-octadecanoyloxyethyl)azanium; methyl sulfate Traditional Name: ethyl-methyl-bis(1-stearoyloxyethyl)ammonium; methyl sulfate Formula: C44H89NO8S MolecularWeight: 792.24436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO4.CH4O4S/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42(45)47-40(4)44(6,9-3)41(5)48-43(46)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2;1-5-6(2,3)4/h40-41H,7-39H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1