TA 51
ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide
| Molecular Formula | C28H32BrNO3 |
|---|---|
| Molecular Weight | 510.5 g/mol |
| Topological Polar Surface Area | 40.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.15656 |
| Heavy Atoms | 33 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 103097-50-3 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| InChIKey | MGWJPRPZJJFVAO-UHFFFAOYSA-N |
📖 Product Overview
TA 51 (CAS: 103097-50-3) is a chemical compound with molecular formula C28H32BrNO3 and molecular weight 510.5 g/mol. Its IUPAC systematic name is ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide.
MGWJPRPZJJFVAO-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-].
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