4,5-bis[[(E)-octadec-9-enoyl]oxy]pentan-2-yl-diethyl-azanium chloride

Systemtic Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentan-2-yl-diethyl-azanium chloride Openeye Name: diethyl-[1-methyl-3,4-bis[[(E)-octadec-9-enoyl]oxy]butyl]ammonium chloride CAS Name: 4,5-bis[(E)-1-oxooctadec-9-enoxy]pentan-2-yl-diethylammonium chloride IUPAC Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentan-2-yl-diethylazanium chloride Traditional Name: diethyl-[1-methyl-3,4-bis[[(E)-octadec-9-enoyl]oxy]butyl]ammonium chloride Formula: C45H86ClNO4 MolecularWeight: 740.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(C)[NH+](CC)CC)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C45H85NO4.ClH/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44(47)49-41-43(40-42(5)46(8-3)9-4)50-45(48)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2;/h22-25,42-43H,6-21,26-41H2,1-5H3;1H/b24-22+,25-23+;