1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium bromide

Systemtic Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium bromide Openeye Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium bromide CAS Name: 1,2-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium bromide IUPAC Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium bromide Traditional Name: 1,2-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(C)C([N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(44)46-39(3)42(43(4,5)6)47-41(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h21-24,39,42H,7-20,25-38H2,1-6H3;1H/q+1;/p-1/b23-21+,24-22+;