2-{2-[2-(acetyloxy)phenyl]ethenyl}-1-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{2-[2-(acetyloxy)phenyl]ethenyl}-1-methylquinolin-1-ium--iodide (1/1)
2-{2-[2-(acetyloxy)phenyl]ethenyl}-1-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0013 |
| Compound Name: | 2-{2-[2-(acetyloxy)phenyl]ethenyl}-1-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 431.27 |
| Molecular Formula: | C20 H18 N O2 |
| Salt: | I- |
| Smiles: | CC(=O)Oc1ccccc1/C=C/c1ccc2ccccc2[n+]1C |
| Stereo: | ACHIRAL |
| logP: | 4.1059 |
| logD: | 4.1059 |
| logSw: | -4.4564 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.8027 |
| InChI Key: | YKFRQCIUMCEUJX-WYMLVPIESA-N |