2D structurePubChem CID 2784
Identidade
Clidinium
CAS 7020-55-5 · C22H26NO3+
01Identidade
| Lazychem ID | LC-100973 |
|---|---|
| CAS RN | 7020-55-5 |
| PubChem CID | 2784 |
| Molecular formula | C22H26NO3+ |
| Molecular weight | 352.4 g/mol |
| IUPAC name | (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate |
| InChIKey | HOOSGZJRQIVJSZ-UHFFFAOYSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 2784
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
- clidinium
- 7020-55-5
- N-Methyl quinuclidinyl benzilate
- Clidinium ion
- Clidinium cation
- 3-hydroxy-1-methylquinuclidinium benzilate ester
- BO76JF850N
- CHEBI:3743
- DTXSID6045379
- 3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane
- 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane
- (1-methyl-1-azoniabicyclo(2.2.2)octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate
06Fontes
- S01PubChem CID 2784
Structure and machine-readable chemical identifiers.