Basic information
- CAS
53222-39-2- Standard SMILES
Cc1cc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc2[n+]1C.[I-].[I-]- InChIKey
GJCSPWUUXUBHFM-UHFFFAOYSA-N- Molecular formula
- C30H31I2N7O
- Average molar mass
- 759.4 g/mol
- Monoisotopic mass
- 759.06795
Names & identifiers
- Preferred name
- Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1,2-dimethyl-, diiodide
- IUPAC
- 2-amino-4-[(6-amino-1,2-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
Names & synonyms
Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1,2-dimethyl-, diiodideRefChem:37881353222-39-2CHEMBL3230795
Database identifiers
- CAS
53222-39-2- PubChem CID
- 3040971
- DTXSID
DTXSID10967771- ChEMBL
CHEMBL3230795
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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