4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)piperidin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)piperidin-1-ium--bromide (1/1)
4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)piperidin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8015-9789 |
| Compound Name: | 4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)piperidin-1-ium--bromide (1/1) |
| Molecular Weight: | 459.38 |
| Molecular Formula: | C23 H27 N2 O3 |
| Salt: | Br- |
| Smiles: | C[N+]1(CCC(CC1)(C#N)c1ccc(c(c1)OC)OC)CC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4978 |
| logD: | 2.4978 |
| logSw: | -2.7504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.938 |
| InChI Key: | HECGNBZLXAFXAD-UHFFFAOYSA-N |