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

Systemtic Name: 4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-diethyl-azanium chloride Openeye Name: diethyl-[1-methyl-3,4-bis[(E)-octadec-9-enoxy]butyl]ammonium chloride CAS Name: 4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-diethylammonium chloride IUPAC Name: 4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-diethylazanium chloride Traditional Name: diethyl-[1-methyl-3,4-bis[(E)-octadec-9-enoxy]butyl]ammonium chloride Formula: C45H90ClNO2 MolecularWeight: 712.6546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(CC(C)[NH+](CC)CC)OCCCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(CC(C)[NH+](CC)CC)OCCCCCCCC/C=C/CCCCCCCC.[Cl-]

InChI

InChI=1S/C45H89NO2.ClH/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47-43-45(42-44(5)46(8-3)9-4)48-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2;/h22-25,44-45H,6-21,26-43H2,1-5H3;1H/b24-22+,25-23+;