Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
Basic information
- CAS
19142-71-3- Standard SMILES
C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4Cl)cc3)c(Cl)c2)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
KPWPTHQHLIBRLH-UHFFFAOYSA-N- Molecular formula
- C48H42Cl2N6O10S2
- Average molar mass
- 997.9 g/mol
- Monoisotopic mass
- 996.1780893
Names & identifiers
- Preferred name
- Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
- IUPAC
- 1-N,4-N-bis[2-chloro-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Names & synonyms
19142-71-3Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonateDTXSID80172658RefChem:377150DTXCID3095149CHEMBL32306643,3'-{1,4-Phenylenebis[carbonylazanediyl(3-chloro-4,1-phenylene)carbonylazanediyl]}bis(1-methylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
19142-71-3- PubChem CID
- 209052
- DTXSID
DTXSID80172658- ChEMBL
CHEMBL3230664
Properties
Computed structural properties
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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