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

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium iodide Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium iodide CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium iodide IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium iodide Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium iodide Formula: C42H80INO4 MolecularWeight: 789.99337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,40H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;