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

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-triethyl-azanium iodide Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-triethyl-ammonium iodide CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-triethylammonium iodide IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-triethylazanium iodide Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-triethyl-ammonium iodide Formula: C45H86INO4 MolecularWeight: 832.07311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H86NO4.HI/c1-6-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46(8-3,9-4)10-5)50-45(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-7-2;/h23-26,43H,6-22,27-42H2,1-5H3;1H/q+1;/p-1/b25-23+,26-24+;