3-(4-{2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(4-{2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium-1-yl)propane-1-sulfonate
3-(4-{2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 8016-7258 |
| Compound Name: | 3-(4-{2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CN(C)c1ccc(/C=C/c2cc[n+](CCCS([O-])(=O)=O)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7002 |
| logD: | 1.7002 |
| logSw: | -2.1773 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.874 |
| InChI Key: | JTQZWUMHYITWQV-UHFFFAOYSA-N |