Pan-W-50
diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)pyridine-3,5-dicarboxylate iodide
| Molecular Formula | C19H23IN2O4 |
|---|---|
| Molecular Weight | 470.3 g/mol |
| Topological Polar Surface Area | 69.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.07025 |
| Heavy Atoms | 26 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 77985-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C2=CC=[N+](C=C2)C)C(=O)OCC)C)C.[I-] |
| InChIKey | FEWMJQGTQRDMBY-UHFFFAOYSA-M |
📖 Product Overview
Pan-W-50 (CAS: 77985-05-8) is a chemical compound with molecular formula C19H23IN2O4 and molecular weight 470.3 g/mol. Its IUPAC systematic name is diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)pyridine-3,5-dicarboxylate iodide.
FEWMJQGTQRDMBY-UHFFFAOYSA-M.
SMILES: CCOC(=O)C1=C(N=C(C(=C1C2=CC=[N+](C=C2)C)C(=O)OCC)C)C.[I-].
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