2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethyl-dimethyl-azanium iodide

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethyl-dimethyl-azanium iodide Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethyl-dimethyl-ammonium iodide CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-ethyl-dimethylammonium iodide IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethyl-dimethylazanium iodide Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-ethyl-dimethyl-ammonium iodide Formula: C43H82INO4 MolecularWeight: 804.01995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)CC)OC(=O)CCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C[N+](C)(C)CC)OC(=O)CCCCCCC/C=C/CCCCCCCC.[I-]

InChI

InChI=1S/C43H82NO4.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;/h21-24,41H,6-20,25-40H2,1-5H3;1H/q+1;/p-1/b23-21+,24-22+;