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 |