Quinolinium, 7-amino-4-((3-amino-4-(((4-((1-ethylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-ethyl-, dibromide
Basic information
- CAS
53222-44-9- Standard SMILES
CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5cc(N)ccc45)cc3N)cc2)cc1.[Br-].[Br-]- InChIKey
BSPVMQMPPMHIBX-UHFFFAOYSA-N- Molecular formula
- C31H33Br2N7O
- Average molar mass
- 679.4 g/mol
- Monoisotopic mass
- 677.11133
Names & identifiers
- Preferred name
- Quinolinium, 7-amino-4-((3-amino-4-(((4-((1-ethylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-ethyl-, dibromide
- IUPAC
- 2-amino-4-[(7-amino-1-ethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide dibromide
Names & synonyms
Quinolinium, 7-amino-4-((3-amino-4-(((4-((1-ethylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-ethyl-, dibromideRefChem:37882553222-44-9CHEMBL3230794
Database identifiers
- CAS
53222-44-9- PubChem CID
- 3040977
- DTXSID
DTXSID90967774- ChEMBL
CHEMBL3230794
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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