1-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-methyloctahydro-2H-quinolizin-5-ium
Chemical Structure Depiction of
1-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-methyloctahydro-2H-quinolizin-5-ium
1-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-methyloctahydro-2H-quinolizin-5-ium
Compound characteristics
| Compound ID: | N085-0049 |
| Compound Name: | 1-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-methyloctahydro-2H-quinolizin-5-ium |
| Molecular Weight: | 395.32 |
| Molecular Formula: | C16 H30 N O2 |
| Salt: | I- |
| Smiles: | CC(C)(C)C(=O)OCC1CCC[N+]2(C)CCCCC12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7649 |
| logD: | 2.7649 |
| logSw: | -2.5559 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.2378 |
| InChI Key: | NZYBBNQLDAYWJE-UHFFFAOYSA-N |