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

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-methoxyethyl)-dimethyl-azanium chloride Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-methoxyethyl)-dimethyl-ammonium chloride CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-(2-methoxyethyl)-dimethylammonium chloride IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-methoxyethyl)-dimethylazanium chloride Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-methoxyethyl)-dimethyl-ammonium chloride Formula: C44H84ClNO5 MolecularWeight: 742.59446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H84NO5.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)49-41-42(40-45(3,4)38-39-48-5)50-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,42H,6-19,24-41H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;