4-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
4-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1-methylquinolin-1-ium--iodide (1/1)
4-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5509-0001 |
| Compound Name: | 4-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 417.24 |
| Molecular Formula: | C19 H16 N O2 |
| Salt: | I- |
| Smiles: | C[n+]1ccc(/C=C/c2ccc3c(c2)OCO3)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.6917 |
| logD: | 4.6917 |
| logSw: | -4.6739 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 18.7304 |
| InChI Key: | KSXWYHONXBBFOT-SOFGYWHQSA-N |