1-(2-Pyrazinylmethyl)pyridinium iodide 1,4-dioxide
Basic information
- CAS
18100-57-7- Standard SMILES
O=[n+]1ccn([O-])c(C[n+]2ccccc2)c1.[I-]- InChIKey
HTUNRTWYULYGGZ-UHFFFAOYSA-M- Molecular formula
- C10H10IN3O2
- Average molar mass
- 331.11 g/mol
- Monoisotopic mass
- 330.98177
Names & identifiers
- Preferred name
- 1-(2-Pyrazinylmethyl)pyridinium iodide 1,4-dioxide
- IUPAC
- 4-oxido-3-(pyridin-1-ium-1-ylmethyl)pyrazin-1-ium 1-oxide iodide
Names & synonyms
1-(2-Pyrazinylmethyl)pyridinium iodide 1,4-dioxidePyridinium, iodide, dioxide18100-57-7NSC88201NSC-88201WLN: T6K DKJ AO DO B1- AT6KJ &I
Database identifiers
- CAS
18100-57-7- PubChem CID
- 205496
- DTXSID
DTXSID40939401
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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