2-(4-acetylphenoxy)-N-benzyl-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
2-(4-acetylphenoxy)-N-benzyl-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1)
2-(4-acetylphenoxy)-N-benzyl-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0180-0422 |
| Compound Name: | 2-(4-acetylphenoxy)-N-benzyl-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1) |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C19 H24 N O2 |
| Salt: | p-ClC6H4SO3- |
| Smiles: | CC(c1ccc(cc1)OCC[N+](C)(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1862 |
| logD: | 3.1862 |
| logSw: | -3.084 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.5463 |
| InChI Key: | XYNTVJMWYMMFOH-UHFFFAOYSA-N |