2,3-di(octadecanoyloxy)propyl-(hydroxymethyl)-dimethyl-azanium iodide

Systemtic Name: 2,3-di(octadecanoyloxy)propyl-(hydroxymethyl)-dimethyl-azanium iodide Openeye Name: 2,3-di(octadecanoyloxy)propyl-(hydroxymethyl)-dimethyl-ammonium iodide CAS Name: 2,3-bis(1-oxooctadecoxy)propyl-(hydroxymethyl)-dimethylammonium iodide IUPAC Name: 2,3-di(octadecanoyloxy)propyl-(hydroxymethyl)-dimethylazanium iodide Traditional Name: 2,3-distearoyloxypropyl-dimethyl-methylol-ammonium iodide Formula: C42H84INO5 MolecularWeight: 810.02453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CO)OC(=O)CCCCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CO)OC(=O)CCCCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C42H84NO5.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(45)47-38-40(37-43(3,4)39-44)48-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h40,44H,5-39H2,1-4H3;1H/q+1;/p-1