Basic information
- CAS
18519-58-9- Standard SMILES
C[n+]1cccc2cc(NC(=O)CCc3ccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)cc3)ccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
FAOLANUNFJKASJ-UHFFFAOYSA-N- Molecular formula
- C44H42N4O8S2
- Average molar mass
- 819 g/mol
- Monoisotopic mass
- 818.24440666
Names & identifiers
- Preferred name
- Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate
- IUPAC
- bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide
Names & synonyms
Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonateQuinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-methyl-, ditosylate18519-58-9DTXSID501717346,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-methylquinolinium) ditosylateQuinolinium, 1-methyl-6-((3-(4-(((1-methylquinolinium-6-yl)amino)carbonyl)phenyl)-1-oxopropylamino)-, salt with 4-methylbenzenesulfonic acid (1:2)RefChem:378748DTXCID6094225CHEMBL32306011-Methyl-6-(4-{3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl}benzamido)quinolin-1-ium bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
18519-58-9- PubChem CID
- 64833
- DTXSID
DTXSID50171734- ChEMBL
CHEMBL3230601
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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