Basic information
- CAS
46441-13-8- Standard SMILES
COc1ccc(C[n+]2ccccc2)cc1- InChIKey
IFFBKZAYSFHSFE-UHFFFAOYSA-N- Molecular formula
- C13H14NO+
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.10753907
Names & identifiers
- Preferred name
- 1-[(4-Methoxyphenyl)methyl]pyridin-1-ium
- IUPAC
- 1-[(4-methoxyphenyl)methyl]pyridin-1-ium
Names & synonyms
1-[(4-methoxyphenyl)methyl]pyridin-1-ium46441-13-8NCIOpen2_005117SCHEMBL565104DTXSID10963576
Database identifiers
- CAS
46441-13-8- PubChem CID
- 417102
- DTXSID
DTXSID10963576- Nikkaji
- J791.661B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…