2,4-di(octadecanoyloxy)pentan-3-yl-(1-hydroxyethyl)azanium; methyl sulfate

Systemtic Name: 2,4-di(octadecanoyloxy)pentan-3-yl-(1-hydroxyethyl)azanium; methyl sulfate Openeye Name: 1-hydroxyethyl-[2-octadecanoyloxy-1-(1-octadecanoyloxyethyl)propyl]ammonium; methyl sulfate CAS Name: 2,4-bis(1-oxooctadecoxy)pentan-3-yl-(1-hydroxyethyl)ammonium; methyl sulfate IUPAC Name: 2,4-di(octadecanoyloxy)pentan-3-yl-(1-hydroxyethyl)azanium; methyl sulfate Traditional Name: 1-hydroxyethyl-[2-stearoyloxy-1-(1-stearoyloxyethyl)propyl]ammonium; methyl sulfate Formula: C44H89NO9S MolecularWeight: 808.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCCCCCCCCCCC)[NH2+]C(C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCCCCCCCCCCC)[NH2+]C(C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H85NO5.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)48-38(3)43(44-40(5)45)39(4)49-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h38-40,43-45H,6-37H2,1-5H3;1H3,(H,2,3,4)