2-(1-oxo-1-phenylpropan-2-yl)isoquinolin-2-ium--bromide (1/1)
Chemical Structure Depiction of
2-(1-oxo-1-phenylpropan-2-yl)isoquinolin-2-ium--bromide (1/1)
2-(1-oxo-1-phenylpropan-2-yl)isoquinolin-2-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0265 |
| Compound Name: | 2-(1-oxo-1-phenylpropan-2-yl)isoquinolin-2-ium--bromide (1/1) |
| Molecular Weight: | 342.23 |
| Molecular Formula: | C18 H16 N O |
| Salt: | Br- |
| Smiles: | CC(C(c1ccccc1)=O)[n+]1ccc2ccccc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5972 |
| logD: | 3.5972 |
| logSw: | -3.3333 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 16.5184 |
| InChI Key: | BZKAKNGRBZIOKA-AWEZNQCLSA-N |