Basic information
- CAS
17834-29-6- Standard SMILES
C[N+]1(CC2COC(c3ccccc3)(C3CCCCC3)O2)CCCCC1- InChIKey
AXWZZEWIGNYBGA-UHFFFAOYSA-N- Molecular formula
- C22H34NO2+
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.25895433
Overview
RN given refers to iodide; structure given in first source
Names & identifiers
- Preferred name
- Oxapium
- IUPAC
- 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium
- English name
- oxapium
- Molecular weight
- 0
Names & synonyms
OXAPIUMCycloniumOxapium cationOxapium ionIK8HSQ3YBL17834-29-6Piperidinium, 1-((2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-DTXSID3048235RefChem:168832DTXCID8028210UNII-IK8HSQ3YBLNCGC00181356-01
Show more names
Piperidinium, 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl- (8CI)
1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-iumOXAPIUM [WHO-DD]SCHEMBL24857CHEMBL1725250AXWZZEWIGNYBGA-UHFFFAOYSA-NQ27280771
Database identifiers
- CAS
17834-29-6- PubChem CID
- 4613
- DTXSID
DTXSID3048235- ChEMBL
CHEMBL1725250- UNII
- IK8HSQ3YBL
- Nikkaji
- J315.529C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 422
Physicochemical properties
- FDA UNII
- 8 HSQ3YBL · IK8HSQ3YBL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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