1-(2-Cyanophenyl)-2,4,6-trimethylpyridin-1-ium perchlorate
Basic information
- CAS
90018-12-5- Standard SMILES
Cc1cc(C)[n+](-c2ccccc2C#N)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
MIHSUFNWXCUSIT-UHFFFAOYSA-M- Molecular formula
- C15H15ClN2O4
- Average molar mass
- 322.74 g/mol
- Monoisotopic mass
- 322.0720347
Names & identifiers
- Preferred name
- 1-(2-Cyanophenyl)-2,4,6-trimethylpyridin-1-ium perchlorate
- IUPAC
- 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzonitrile perchlorate
Names & synonyms
90018-12-5DTXSID505270301-(2-Cyanophenyl)-2,4,6-trimethylpyridin-1-ium perchlorate
Database identifiers
- CAS
90018-12-5- PubChem CID
- 13201802
- DTXSID
DTXSID50527030
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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