Basic information
- Standard SMILES
COS(=O)(=O)OC.Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-]- InChIKey
UMKHVAZLDPZGSY-UHFFFAOYSA-N- Molecular formula
- C9H14N2O7S
- Average molar mass
- 294.28 g/mol
- Monoisotopic mass
- 294.05217196
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-nitropyridine-N-Oxide dimethyl Sulphate
- IUPAC
- 3,5-dimethyl-4-nitro-1-oxidopyridin-1-ium;dimethyl sulfate
Names & synonyms
SCHEMBL7929336UMKHVAZLDPZGSY-UHFFFAOYSA-N3,5-Dimethyl-4-nitropyridine-N-Oxide dimethyl Sulphate
Database identifiers
- PubChem CID
- 86757002
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Related reactions
2 records
Compound notes
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