dimethyl-[(E)-octadec-9-enoyl]-[(E)-1-oxidanyl-3-oxidanylidene-icos-11-enyl]azanium bromide

Systemtic Name: dimethyl-[(E)-octadec-9-enoyl]-[(E)-1-oxidanyl-3-oxidanylidene-icos-11-enyl]azanium bromide Openeye Name: [(E)-1-hydroxy-3-oxo-icos-11-enyl]-dimethyl-[(E)-octadec-9-enoyl]ammonium bromide CAS Name: [(E)-1-hydroxy-3-oxoeicos-11-enyl]-dimethyl-[(E)-1-oxooctadec-9-enyl]ammonium bromide IUPAC Name: [(E)-1-hydroxy-3-oxoicos-11-enyl]-dimethyl-[(E)-octadec-9-enoyl]azanium bromide Traditional Name: [(E)-1-hydroxy-3-keto-eicos-11-enyl]-dimethyl-[(E)-octadec-9-enoyl]ammonium bromide Formula: C40H76BrNO3 MolecularWeight: 698.94034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H76NO3.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(42)37-40(44)41(3,4)39(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22,40,44H,5-18,23-37H2,1-4H3;1H/q+1;/p-1/b21-19+,22-20+;