Pyridinium, 1-[[(3-benzoylpyridinio)methoxy]methyl]-2-[(hydroxyimino)methyl]-, iodide (1:2)
Basic information
- CAS
65320-89-0- Standard SMILES
O=C(c1ccccc1)c1ccc[n+](COC[n+]2ccccc2C=NO)c1.[I-].[I-]- InChIKey
OYSGPEBWOFZIHL-UHFFFAOYSA-M- Molecular formula
- C20H19I2N3O3
- Average molar mass
- 603.2 g/mol
- Monoisotopic mass
- 602.95159
Overview
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Names & identifiers
- Preferred name
- Pyridinium, 1-[[(3-benzoylpyridinio)methoxy]methyl]-2-[(hydroxyimino)methyl]-, iodide (1:2)
- IUPAC
- [1-[[2-(hydroxyiminomethyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-phenylmethanone diiodide
Names & synonyms
SCHEMBL11640482DTXSID80137567465320-89-0Pyridinium, 1-[[(3-benzoylpyridinio)methoxy]methyl]-2-[(hydroxyimino)methyl]-, iodide (1:2)
Database identifiers
- CAS
65320-89-0- PubChem CID
- 198487
- DTXSID
DTXSID801375674
Properties
Computed structural properties
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
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Compound notes
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