Basic information
- CAS
20766-49-8- Standard SMILES
CCN1C(=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21- InChIKey
AGJZCWVTGOVGBS-UHFFFAOYSA-N- Molecular formula
- C23H23N2+
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.18612374
Overview
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Names & identifiers
- Preferred name
- Quinolinium, 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, iodide
- IUPAC
- 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline
Names & synonyms
GNF-Pf-1919GNF-Pf-4440Decynium 22Quinolinium, 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, iodideDy221-Ethyl-2-((1-ethyl-2(1H)-quinolylidene)methyl)quinoliniumSCHEMBL737002GTPL8482SCHEMBL29378931C23H23N2+D-22EU-0033718
Show more names
1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline1-ethyl-2-[(1-ethylquinolin-2(1H)-ylidene)methyl]quinolin-1-ium--chloride (1/1)
Database identifiers
- CAS
20766-49-8- PubChem CID
- 75463
- DTXSID
DTXSID40174835
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 464
Related reactions
0 records
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Compound notes
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