3-[(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]-1-methylpyridin-1-ium
Chemical Structure Depiction of
3-[(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]-1-methylpyridin-1-ium
3-[(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]-1-methylpyridin-1-ium
Compound characteristics
| Compound ID: | 6228-0517 |
| Compound Name: | 3-[(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]-1-methylpyridin-1-ium |
| Molecular Weight: | 412.27 |
| Molecular Formula: | C17 H21 N2 O2 |
| Salt: | I- |
| Smiles: | CC1C=C(C)CC2C1C(N(Cc1ccc[n+](C)c1)C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4838 |
| logD: | 1.4838 |
| logSw: | -2.1919 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.942 |
| InChI Key: | PYBDZRRKYOKDCJ-UHFFFAOYSA-N |