1-methyl-1-[2-oxo-2-(3-phenylpropoxy)ethyl]pyrrolidin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-methyl-1-[2-oxo-2-(3-phenylpropoxy)ethyl]pyrrolidin-1-ium--iodide (1/1)
1-methyl-1-[2-oxo-2-(3-phenylpropoxy)ethyl]pyrrolidin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-0625 |
| Compound Name: | 1-methyl-1-[2-oxo-2-(3-phenylpropoxy)ethyl]pyrrolidin-1-ium--iodide (1/1) |
| Molecular Weight: | 389.28 |
| Molecular Formula: | C16 H24 N O2 |
| Salt: | I- |
| Smiles: | C[N+]1(CCCC1)CC(=O)OCCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0004 |
| logD: | 3.0004 |
| logSw: | -3.2299 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.4638 |
| InChI Key: | KJAAOTGPYCFSRG-UHFFFAOYSA-N |