Pyridinium, 3,3'-(isophthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
Basic information
- CAS
20719-39-5- Standard SMILES
C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)c3)cc2)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
SFPPNHQCJUGWMA-UHFFFAOYSA-N- Molecular formula
- C48H44N6O10S2
- Average molar mass
- 929 g/mol
- Monoisotopic mass
- 928.25603397
Names & identifiers
- Preferred name
- Pyridinium, 3,3'-(isophthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
- IUPAC
- 1-N,3-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,3-dicarboxamide;bis(4-methylbenzenesulfonate)
Names & synonyms
20719-39-5Pyridinium, 3,3'-(isophthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonateRefChem:1097429CHEMBL3230671
Database identifiers
- CAS
20719-39-5- PubChem CID
- 209902
- ChEMBL
CHEMBL3230671
Properties
Computed structural properties
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,110
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