2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-azanium ethanoate

Systemtic Name: 2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-azanium ethanoate Openeye Name: 2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethyl-ammonium acetate CAS Name: 2,3-bis(1-oxooctadecoxy)propyl-(2-hydroxyethyl)-dimethylammonium acetate IUPAC Name: 2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium acetate Traditional Name: 2,3-distearoyloxypropyl-(2-hydroxyethyl)-dimethyl-ammonium acetate Formula: C45H89NO7 MolecularWeight: 756.19066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO5.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-40-41(39-44(3,4)37-38-45)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h41,45H,5-40H2,1-4H3;1H3,(H,3,4)/q+1;/p-1