2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium
Basic information
- CAS
1034050-02-6- Standard SMILES
Cc1ccc(C=Cc2cccc[n+]2C)c(C)c1- InChIKey
QKQZYJUUBQROMS-UHFFFAOYSA-N- Molecular formula
- C16H18N+
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.14392458
Names & identifiers
- Preferred name
- 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium
- IUPAC
- 2-[2-(2,4-dimethylphenyl)ethenyl]-1-methylpyridin-1-ium
Names & synonyms
2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridinium2-[2-(2,4-dimethylphenyl)ethenyl]-1-methylpyridin-1-iumDTXSID1012172291034050-02-6
Database identifiers
- CAS
1034050-02-6- PubChem CID
- 3917811
- DTXSID
DTXSID101217229
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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