Basic information
- Standard SMILES
CN(C)C(=CC=[N+](C)C)C(=O)c1ccccc1.F[B-](F)(F)F- InChIKey
MXXCKVLTWCCFAG-UHFFFAOYSA-N- Molecular formula
- C14H19BF4N2O
- Average molar mass
- 318.12 g/mol
- Monoisotopic mass
- 318.152656
Names & identifiers
- Preferred name
- N-(3-dimethylamino-3-benzoylpropenylidene)-N-methylmethanaminium tetrafluoroborate
- IUPAC
- [3-(dimethylamino)-4-oxo-4-phenylbut-2-enylidene]-dimethylazanium tetrafluoroborate
Names & synonyms
SCHEMBL10418219MXXCKVLTWCCFAG-UHFFFAOYSA-NN-(3-dimethylamino-3-benzoylpropenylidene)-N-methylmethanaminium tetrafluoroborate
Database identifiers
- PubChem CID
- 86743604
Properties
Computed structural properties
- Topological polar surface area
- 23.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
Related reactions
4 records
Compound notes
Loading…