Basic information
- CAS
16826-19-0- Standard SMILES
CCCCCCCCCCCC[n+]1ccc2ccccc2c1- InChIKey
ZFCMISKWVFUWHP-UHFFFAOYSA-N- Molecular formula
- C21H32N+
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.25347503
Names & identifiers
- Preferred name
- Lauryl isoquinolinium
- IUPAC
- 2-dodecylisoquinolin-2-ium
Names & synonyms
LAURYL ISOQUINOLINIUMIsoquinolinium, 2-dodecyl-16826-19-03E4M46N97K2-dodecylisoquinolin-2-ium2-dodecylisoquinoliniumUNII-3E4M46N97KSCHEMBL1067310LAURYL ISOQUINOLINIUM IONCHEMBL1398631DTXSID5048263LAURYL ISOQUINOLINIUM CATION
Show more names
NS00013832Q27257103
Database identifiers
- CAS
16826-19-0- PubChem CID
- 7133
- DTXSID
DTXSID5048263- ChEMBL
CHEMBL1398631- UNII
- 3E4M46N97K
- Nikkaji
- J209.406A
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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