Basic information
- Standard SMILES
COC(=O)C(=Cc1ccc[nH+]c1)NC(C)=O.F[B-](F)(F)F- InChIKey
AHKYLDKEDVIRIE-UHFFFAOYSA-O- Molecular formula
- C11H13BF4N2O3
- Average molar mass
- 308.04 g/mol
Names & identifiers
- Preferred name
- 3-(2-Acetylamino-2-methoxycarbonylvinyl)pyridinium Tetrafluoroborate
- IUPAC
- methyl 2-acetamido-3-pyridin-1-ium-3-ylprop-2-enoate tetrafluoroborate
Names & synonyms
SCHEMBL5633329AHKYLDKEDVIRIE-UHFFFAOYSA-O3-(2-Acetylamino-2-methoxycarbonylvinyl)pyridinium Tetrafluoroborate
Database identifiers
- PubChem CID
- 86583783
Properties
Computed structural properties
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Linked notes
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