3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}-7-methylquinolin-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}-7-methylquinolin-1-ium-1-yl)propane-1-sulfonate
3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}-7-methylquinolin-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 4400-0080 |
| Compound Name: | 3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}-7-methylquinolin-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | Cc1ccc2ccc(/C=C/c3ccc(cc3)N(C)C)[n+](CCCS([O-])(=O)=O)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3836 |
| logD: | 3.3836 |
| logSw: | -3.5985 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.998 |
| InChI Key: | KXQKICVYTOGUSX-UHFFFAOYSA-N |