PK 97
trimethyl-[3-[4-[3-(trimethylazaniumyl)propoxycarbonyl]benzoyl]oxypropyl]azanium diiodide
| Molecular Formula | C20H34I2N2O4 |
|---|---|
| Molecular Weight | 620.3 g/mol |
| Topological Polar Surface Area | 52.6 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 620.0608 |
| Heavy Atoms | 28 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 16051-52-8 |
|---|---|
| SMILES | C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | JSJYAKUHKPGKHQ-UHFFFAOYSA-L |
📖 Product Overview
PK 97 (CAS: 16051-52-8) is a chemical compound with molecular formula C20H34I2N2O4 and molecular weight 620.3 g/mol. Its IUPAC systematic name is trimethyl-[3-[4-[3-(trimethylazaniumyl)propoxycarbonyl]benzoyl]oxypropyl]azanium diiodide.
JSJYAKUHKPGKHQ-UHFFFAOYSA-L.
SMILES: C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C.[I-].[I-].
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