SN 9592
Basic information
- CAS
50308-86-6- Standard SMILES
Cc1c[n+](C)c2ccccc2c1Nc1ccc(C(=O)Nc2ccc(Nc3cc[n+](C)cc3)cc2)cc1.[Br-].[Br-]- InChIKey
LJQIQVQEWOUXJQ-UHFFFAOYSA-N- Molecular formula
- C30H29Br2N5O
- Average molar mass
- 635.4 g/mol
- Monoisotopic mass
- 633.07389
Names & identifiers
- Preferred name
- SN 9592
- IUPAC
- 4-[(1,3-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide dibromide
Names & synonyms
SN 9592Quinolinium, 1,3-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromideRefChem:38057250308-86-6CHEMBL3230743
Database identifiers
- CAS
50308-86-6- PubChem CID
- 148491
- ChEMBL
CHEMBL3230743
Properties
Computed structural properties
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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