(1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride
(1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride
| Molecular Formula | C20H20ClNO2 |
|---|---|
| Molecular Weight | 341.8 g/mol |
| Topological Polar Surface Area | 30.7 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.11826 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 80276-07-9 |
|---|---|
| SMILES | C[NH+]1CCC=C2C1C(C3=CC=CC=C23)OC(=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | DHHOMBKMDILGMW-UHFFFAOYSA-N |
📖 Product Overview
(1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride (CAS: 80276-07-9) is a chemical compound with molecular formula C20H20ClNO2 and molecular weight 341.8 g/mol. Its IUPAC systematic name is (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride.
DHHOMBKMDILGMW-UHFFFAOYSA-N.
SMILES: C[NH+]1CCC=C2C1C(C3=CC=CC=C23)OC(=O)C4=CC=CC=C4.[Cl-].
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