(4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride
(4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride
| Molecular Formula | C20H21BrClNO3 |
|---|---|
| Molecular Weight | 438.7 g/mol |
| Topological Polar Surface Area | 47.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.03934 |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 33422-50-3 |
|---|---|
| SMILES | C[NH+]1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | IAMKWJSQXNEBGU-UHFFFAOYSA-N |
📖 Product Overview
(4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride (CAS: 33422-50-3) is a chemical compound with molecular formula C20H21BrClNO3 and molecular weight 438.7 g/mol. Its IUPAC systematic name is (4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride.
IAMKWJSQXNEBGU-UHFFFAOYSA-N.
SMILES: C[NH+]1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3.[Cl-].
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