Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCCCC(=O)OCCC(=O)CCC(=O)CCO)OCCCCCCCCC=CCCCCCCCC.[Br-]- InChIKey
ZMTGNVOLPMDVCZ-UHFFFAOYSA-M- Molecular formula
- C54H102BrNO7
- Average molar mass
- 957.3 g/mol
Names & identifiers
- Preferred name
- (2,3-Bis-octadec-9-enyloxypropyl)-(8-hydroxy-3,6-dioxooctyloxycarbonylbutyl)-dimethylammonium bromide
- IUPAC
- 2,3-bis(octadec-9-enoxy)propyl-[5-(8-hydroxy-3,6-dioxooctoxy)-5-oxopentyl]-dimethylazanium bromide
Names & synonyms
SCHEMBL2999827ZMTGNVOLPMDVCZ-UHFFFAOYSA-M(2,3-Bis-octadec-9-enyloxypropyl)-(8-hydroxy-3,6-dioxooctyloxycarbonylbutyl)-dimethylammonium bromide
Database identifiers
- PubChem CID
- 86643548
Properties
Computed structural properties
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 51
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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