1-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpiperidin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpiperidin-1-ium--iodide (1/1)
1-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpiperidin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-0595 |
| Compound Name: | 1-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpiperidin-1-ium--iodide (1/1) |
| Molecular Weight: | 402.27 |
| Molecular Formula: | C16 H23 N2 O2 |
| Salt: | I- |
| Smiles: | C[N+]1(CCCCC1)CN1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3074 |
| logD: | 1.3074 |
| logSw: | -1.3647 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.436 |
| InChI Key: | KACLEKGODJDZPY-UHFFFAOYSA-N |