1-Naphthalen-2-yl-2-pyrazin-1-ium-1-ylethanone
Basic information
- CAS
748068-47-5- Standard SMILES
O=C(C[n+]1ccncc1)c1ccc2ccccc2c1- InChIKey
GVGBPLRCICSARU-UHFFFAOYSA-N- Molecular formula
- C16H13N2O+
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.10278804
Names & identifiers
- Preferred name
- 1-Naphthalen-2-yl-2-pyrazin-1-ium-1-ylethanone
- IUPAC
- 1-naphthalen-2-yl-2-pyrazin-1-ium-1-ylethanone
Names & synonyms
748068-47-51-[2-(2-Naphthalenyl)-2-oxoethyl]pyrazinium1-[2-(2-naphthyl)-2-oxoethyl]pyrazin-1-ium1-naphthalen-2-yl-2-pyrazin-1-ium-1-ylethanoneCHEMBL1901389DTXSID801260293NCGC00186170-01NCGC00186170-02NCGC00186170-03NCGC00186170-04NCGC00186170-05AT-051/43422513
Show more names
1-[2-(Naphthalen-2-yl)-2-oxoethyl]pyrazin-1-ium
Database identifiers
- CAS
748068-47-5- PubChem CID
- 3682201
- DTXSID
DTXSID801260293- ChEMBL
CHEMBL1901389
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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