3-(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-1-methylpyridin-1-ium--iodide (1/1)
3-(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
Compound ID: | 6228-0514 |
Compound Name: | 3-(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-1-methylpyridin-1-ium--iodide (1/1) |
Molecular Weight: | 398.24 |
Molecular Formula: | C16 H19 N2 O2 |
Salt: | I- |
Smiles: | CC1C=C(C)CC2C1C(N(C2=O)c1ccc[n+](C)c1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.1317 |
logD: | 1.1317 |
logSw: | -2.2831 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.331 |
InChI Key: | UYHYCNHHAGZKQZ-UHFFFAOYSA-N |