3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium bromide

Systemtic Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium bromide Openeye Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium bromide CAS Name: 3,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium bromide IUPAC Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium bromide Traditional Name: 3,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium bromide Formula: C42H80BrNO4 MolecularWeight: 742.9929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(44)46-42(38-39-43(3,4)5)47-41(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,42H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;