Basic information
- CAS
89965-26-4- Standard SMILES
CCCCCC[n+]1ccc2ccccc2c1- InChIKey
RQLZZCGLNJCDEK-UHFFFAOYSA-N- Molecular formula
- C15H20N+
- Average molar mass
- 214.33 g/mol
- Monoisotopic mass
- 214.15957464
Names & identifiers
- Preferred name
- Isoquinolinium, 2-hexyl-
- IUPAC
- 2-hexylisoquinolin-2-ium
Names & synonyms
2-hexylisoquinolin-2-iumIsoquinolinium, 2-hexyl-89965-26-4SCHEMBL9512245SCHEMBL30771513DTXSID10328707
Database identifiers
- CAS
89965-26-4- PubChem CID
- 413360
- DTXSID
DTXSID10328707- Nikkaji
- J1.646.877K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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