Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
Basic information
- CAS
14120-93-5- Standard SMILES
CC[n+]1cccc2cc(NC(=O)Cc3ccc(CC(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)ccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
OHIMFGPUGASRQY-UHFFFAOYSA-N- Molecular formula
- C46H46N4O8S2
- Average molar mass
- 847 g/mol
- Monoisotopic mass
- 846.27570679
Names & identifiers
- Preferred name
- Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
- IUPAC
- N-(1-ethylquinolin-1-ium-6-yl)-2-[4-[2-[(1-ethylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide;bis(4-methylbenzenesulfonate)
Names & synonyms
Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonateQuinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-ethyl-, ditosylate14120-93-5DTXSID301615976,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylateQuinolinium, 6,6'-(1,4-phenylenebis(1-oxo-2,1-ethanediyl)imino)bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2)RefChem:378736DTXCID80840886,6'-{1,4-Phenylenebis[(1-oxoethane-2,1-diyl)azanediyl]}bis(1-ethylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
14120-93-5- PubChem CID
- 64823
- DTXSID
DTXSID30161597
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 910
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…