3-[1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium-1-yl]propane-1-sulfonate
Chemical Structure Depiction of
3-[1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium-1-yl]propane-1-sulfonate
3-[1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium-1-yl]propane-1-sulfonate
Compound characteristics
| Compound ID: | 8009-4807 |
| Compound Name: | 3-[1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium-1-yl]propane-1-sulfonate |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C17 H23 N O3 S |
| Smiles: | C1CC[N+](CC1)(CCCS([O-])(=O)=O)CC#Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4493 |
| logD: | 1.4493 |
| logSw: | -1.9835 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.175 |
| InChI Key: | QRFKUHBGFDJVKE-UHFFFAOYSA-N |