6-Methylbenzo[b]quinolizin-5-ium
Basic information
- CAS
4941-70-2- Standard SMILES
Cc1c2ccccc2cc2cccc[n+]12- InChIKey
FUYCJTKFQQLDDT-UHFFFAOYSA-N- Molecular formula
- C14H12N+
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.09697439
Names & identifiers
- Preferred name
- 6-Methylbenzo[b]quinolizin-5-ium
- IUPAC
- 6-methylbenzo[b]quinolizin-5-ium
Names & synonyms
NCI60_0417144941-70-2NCIOpen2_004543CHEMBL2010316DTXSID504110866-Methylpyrido[1,2-b]isoquinolin-5-ium
Database identifiers
- CAS
4941-70-2- PubChem CID
- 5221680
- DTXSID
DTXSID50411086- ChEMBL
CHEMBL2010316- Nikkaji
- J637.230I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 4.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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