Clidinium

C₂₂H₂₆NO₃+ — CID 2784

About Clidinium

Clidinium (PubChem CID 2784) has the molecular formula C₂₂H₂₆NO₃+ and a molecular weight of 352.45 g/mol. Its IUPAC name is (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

• Compound Name: Clidinium
• PubChem CID: 2784
• Molecular Formula: C₂₂H₂₆NO₃+
• Molecular Weight: 352.45 g/mol
• Exact Mass: 352.19
• IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
• SMILES: C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
• InChI: InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1
• InChIKey: HOOSGZJRQIVJSZ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.45
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Clidinium?

The IUPAC name of Clidinium (CID 2784) is (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate.

What is the SMILES notation for Clidinium?

The canonical SMILES for Clidinium is C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.

What is the InChIKey of Clidinium?

The InChIKey is HOOSGZJRQIVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1.

What are the key properties of Clidinium?

Clidinium has a molecular weight of 352.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Clidinium is sourced from PubChem (CID 2784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2784 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 676 — approved-drug record (CC BY-SA 4.0)

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