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

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-bis(2-methoxyethyl)-methyl-azanium iodide Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-bis(2-methoxyethyl)-methyl-ammonium iodide CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-bis(2-methoxyethyl)-methylammonium iodide IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-bis(2-methoxyethyl)-methylazanium iodide Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-bis(2-methoxyethyl)-methyl-ammonium iodide Formula: C46H88INO6 MolecularWeight: 878.09849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H88NO6.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-45(48)52-43-44(42-47(3,38-40-50-4)39-41-51-5)53-46(49)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,44H,6-19,24-43H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;