3-(methyl{4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl}amino)propane-1-sulfonate
Chemical Structure Depiction of
3-(methyl{4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl}amino)propane-1-sulfonate
3-(methyl{4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl}amino)propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0447 |
| Compound Name: | 3-(methyl{4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl}amino)propane-1-sulfonate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CN(CCCS([O-])(=O)=O)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2596 |
| logD: | 2.2596 |
| logSw: | -2.5966 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.229 |
| InChI Key: | FQGSIKBTIBUDGS-UHFFFAOYSA-N |