Basic information
- CAS
25413-50-7- Standard SMILES
CCN(CC)c1ccc(-c2ccc3cc(C)ccc3[n+]2C)cc1.[I-]- InChIKey
IBUVBQMCVXLRCT-UHFFFAOYSA-M- Molecular formula
- C21H25IN2
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 432.10625
Names & identifiers
- Preferred name
- 4-(1,6-Dimethylquinolin-2(1H)-ylidene)-N,N-diethylcyclohexa-2,5-dien-1-iminium iodide
- IUPAC
- 4-(1,6-dimethylquinolin-1-ium-2-yl)-N,N-diethylaniline iodide
Names & synonyms
25413-50-7DTXSID409482754-(1,6-Dimethylquinolin-2(1H)-ylidene)-N,N-diethylcyclohexa-2,5-dien-1-iminium iodideRefChem:1069700DTXCID3013765102-(p-(Diethylamino)phenyl)-1,6-dimethylquinolinium iodideQuinolinium, 2-(p-(diethylamino)phenyl)-1,6-dimethyl-, iodide
Database identifiers
- CAS
25413-50-7- PubChem CID
- 212943
- DTXSID
DTXSID40948275
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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