dibutyl-bis[(E)-octadec-9-enoyl]azanium bromide

Systemtic Name: dibutyl-bis[(E)-octadec-9-enoyl]azanium bromide Openeye Name: dibutyl-bis[(E)-octadec-9-enoyl]ammonium bromide CAS Name: dibutyl-bis[(E)-1-oxooctadec-9-enyl]ammonium bromide IUPAC Name: dibutyl-bis[(E)-octadec-9-enoyl]azanium bromide Traditional Name: dibutyl-bis[(E)-octadec-9-enoyl]ammonium bromide Formula: C44H84BrNO2 MolecularWeight: 739.04726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+](CCCC)(CCCC)C(=O)CCCCCCCC=CCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+](C(=O)CCCCCCC/C=C/CCCCCCCC)(CCCC)CCCC.[Br-]

InChI

InChI=1S/C44H84NO2.BrH/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43(46)45(41-11-7-3,42-12-8-4)44(47)40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2;/h23-26H,5-22,27-42H2,1-4H3;1H/q+1;/p-1/b25-23+,26-24+;