Basic information
- CAS
20719-19-1- Standard SMILES
CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
XCPPULKRAFMFPD-UHFFFAOYSA-O- Molecular formula
- C41H41N6O5S+
- Average molar mass
- 729.9 g/mol
- Monoisotopic mass
- 729.2859146
Names & identifiers
- Preferred name
- 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
- IUPAC
- 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
Names & synonyms
NSC125032NSC-125032
Database identifiers
- CAS
20719-19-1- PubChem CID
- 54598985
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 53
- Formal charge
- 1
- Complexity
- 941
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…