Pan-W-5
diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide
| Molecular Formula | C19H25IN2O4 |
|---|---|
| Molecular Weight | 472.3 g/mol |
| Topological Polar Surface Area | 69.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.0859 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 53219-30-0 |
|---|---|
| SMILES | CCOC(=O)C1=C([NH+](C(=C(C1C2=CC=NC=C2)C(=O)OCC)C)C)C.[I-] |
| InChIKey | UHIOKADSJOWDKW-UHFFFAOYSA-N |
📖 Product Overview
Pan-W-5 (CAS: 53219-30-0) is a chemical compound with molecular formula C19H25IN2O4 and molecular weight 472.3 g/mol. Its IUPAC systematic name is diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide.
UHIOKADSJOWDKW-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1=C([NH+](C(=C(C1C2=CC=NC=C2)C(=O)OCC)C)C)C.[I-].
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