2,3-bis[(E)-octadec-9-enoxy]butyl-dimethyl-azanium chloride

Systemtic Name: 2,3-bis[(E)-octadec-9-enoxy]butyl-dimethyl-azanium chloride Openeye Name: 2,3-bis[(E)-octadec-9-enoxy]butyl-dimethyl-ammonium chloride CAS Name: 2,3-bis[(E)-octadec-9-enoxy]butyl-dimethylammonium chloride IUPAC Name: 2,3-bis[(E)-octadec-9-enoxy]butyl-dimethylazanium chloride Traditional Name: 2,3-bis[(E)-octadec-9-enoxy]butyl-dimethyl-ammonium chloride Formula: C42H84ClNO2 MolecularWeight: 670.57486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H83NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44-41(3)42(40-43(4)5)45-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,41-42H,6-19,24-40H2,1-5H3;1H/b22-20+,23-21+;