2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1)
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1)
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7954-0913 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1) |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C19 H18 N O3 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1OC)C(C[n+]1ccc2ccccc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1322 |
| logD: | 3.1322 |
| logSw: | -3.2075 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.1603 |
| InChI Key: | BBWCRHGEYHOVSR-UHFFFAOYSA-N |