3-(benzoyloxy)-1-butyl-1-azabicyclo[2.2.2]octan-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-(benzoyloxy)-1-butyl-1-azabicyclo[2.2.2]octan-1-ium--iodide (1/1)
3-(benzoyloxy)-1-butyl-1-azabicyclo[2.2.2]octan-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8014-5574 |
| Compound Name: | 3-(benzoyloxy)-1-butyl-1-azabicyclo[2.2.2]octan-1-ium--iodide (1/1) |
| Molecular Weight: | 415.31 |
| Molecular Formula: | C18 H26 N O2 |
| Salt: | I- |
| Smiles: | CCCC[N+]12CCC(CC1)C(C2)OC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8014 |
| logD: | 3.8014 |
| logSw: | -3.7113 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.7121 |
| InChI Key: | VBOCSQAMZGTLAV-RMXPPQQLSA-N |