4-({3-[benzyl(dimethyl)azaniumyl]propyl}carbamoyl)-2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium--iodide (1/2)
Chemical Structure Depiction of
4-({3-[benzyl(dimethyl)azaniumyl]propyl}carbamoyl)-2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium--iodide (1/2)
4-({3-[benzyl(dimethyl)azaniumyl]propyl}carbamoyl)-2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium--iodide (1/2)
Compound characteristics
| Compound ID: | 3843-0479 |
| Compound Name: | 4-({3-[benzyl(dimethyl)azaniumyl]propyl}carbamoyl)-2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium--iodide (1/2) |
| Molecular Weight: | 610.28 |
| Molecular Formula: | C20 H28 N4 O2 |
| Salt: | 2I- |
| Smiles: | C[n+]1ccc(cc1/C=N/O)C(NCCC[N+](C)(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8267 |
| logD: | 1.8267 |
| logSw: | -2.2187 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.723 |
| InChI Key: | QAIZYWSAILKJQP-UHFFFAOYSA-P |