2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-azanium bromide

Systemtic Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-azanium bromide Openeye Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-ammonium bromide CAS Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethylammonium bromide IUPAC Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethylazanium bromide Traditional Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-ammonium bromide Formula: C42H84BrNO2 MolecularWeight: 715.02586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C/CCCCCCCC.[Br-]

InChI

InChI=1S/C42H84NO2.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44-41-42(40-43(3,4)5)45-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,42H,6-19,24-41H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;