DTXSID10955052
(3-benzoyl-1-methylpiperidin-1-ium-3-yl) benzoate chloride
| Molecular Formula | C20H22ClNO3 |
|---|---|
| Molecular Weight | 359.8 g/mol |
| Topological Polar Surface Area | 47.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1288 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 33426-97-0 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | IXUBQARUVFRFLU-UHFFFAOYSA-N |
📖 Product Overview
DTXSID10955052 (CAS: 33426-97-0) is a chemical compound with molecular formula C20H22ClNO3 and molecular weight 359.8 g/mol. Its IUPAC systematic name is (3-benzoyl-1-methylpiperidin-1-ium-3-yl) benzoate chloride.
IXUBQARUVFRFLU-UHFFFAOYSA-N.
SMILES: C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-].
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