Lauryl isoquinolinium chloride
Basic information
- CAS
71732-96-2- Standard SMILES
CCCCCCCCCCCC[n+]1ccc2ccccc2c1.[Cl-]- InChIKey
WBXDKDRNXQVSGV-UHFFFAOYSA-M- Molecular formula
- C21H32ClN
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.2223277
Names & identifiers
- Preferred name
- Lauryl isoquinolinium chloride
- IUPAC
- 2-dodecylisoquinolin-2-ium chloride
Names & synonyms
lauryl isoquinolinium chlorideN-LAURYLISOQUINOLINIUM CHLORIDE2-Dodecylisoquinolinium chlorideIsoquinolinium, 2-dodecyl-, chlorideW21ZNV8R6L71732-96-2UNII-W21ZNV8R6L2-dodecylisoquinolin-2-ium chlorideSCHEMBL2206735DTXSID90992349ISOQUINOLINIUM, 2-DODECYL-, CHLORIDE (1:1)Q27292209
Database identifiers
- CAS
71732-96-2- PubChem CID
- 51393
- DTXSID
DTXSID90992349- UNII
- W21ZNV8R6L
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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