TA 43
ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate bromide
| Molecular Formula | C25H32BrNO5 |
|---|---|
| Molecular Weight | 506.4 g/mol |
| Topological Polar Surface Area | 66.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 505.1464 |
| Heavy Atoms | 32 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 102895-60-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC.[Br-] |
| InChIKey | XJYDTSUUPWMCKC-UHFFFAOYSA-N |
📖 Product Overview
TA 43 (CAS: 102895-60-3) is a chemical compound with molecular formula C25H32BrNO5 and molecular weight 506.4 g/mol. Its IUPAC systematic name is ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate bromide.
XJYDTSUUPWMCKC-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1=CC=C(C=C1)OCC[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC.[Br-].
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