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

Systemtic Name: 2,3-di(octadecanoyloxy)propyl-ethyl-dimethyl-azanium iodide Openeye Name: 2,3-di(octadecanoyloxy)propyl-ethyl-dimethyl-ammonium iodide CAS Name: 2,3-bis(1-oxooctadecoxy)propyl-ethyl-dimethylammonium iodide IUPAC Name: 2,3-di(octadecanoyloxy)propyl-ethyl-dimethylazanium iodide Traditional Name: 2,3-distearoyloxypropyl-ethyl-dimethyl-ammonium iodide Formula: C43H86INO4 MolecularWeight: 808.05171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO4.HI/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44(4,5)8-3)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2;/h41H,6-40H2,1-5H3;1H/q+1;/p-1