Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
Basic information
- CAS
19056-21-4- Standard SMILES
CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc[n+](CCC)c4)cc3)cc2)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
LSYHQRCOXFPRCU-UHFFFAOYSA-N- Molecular formula
- C45H47N5O9S2
- Average molar mass
- 866 g/mol
- Monoisotopic mass
- 865.28152044
Names & identifiers
- Preferred name
- Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
- IUPAC
- bis(4-methylbenzenesulfonate);4-N-(1-propylpyridin-1-ium-3-yl)-1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Names & synonyms
19056-21-4Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylateDTXSID80172537RefChem:377086DTXCID7095028CHEMBL32306381-Propyl-3-(4-{4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]benzamido}benzamido)pyridin-1-ium bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
19056-21-4- PubChem CID
- 208965
- DTXSID
DTXSID80172537- ChEMBL
CHEMBL3230638
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 984
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…