Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)formamido)benzamido)-, di-p-toluenesulfonate
Basic information
- CAS
16760-09-1- Standard SMILES
CC[n+]1cccc2cc(NC(=O)c3ccc(NC(=O)c4ccc5c(ccc[n+]5CC)c4)cc3)ccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
LJGAVRHPWJYNQI-UHFFFAOYSA-N- Molecular formula
- C44H42N4O8S2
- Average molar mass
- 819 g/mol
- Monoisotopic mass
- 818.24440666
Names & identifiers
- Preferred name
- Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)formamido)benzamido)-, di-p-toluenesulfonate
- IUPAC
- 1-ethyl-N-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide;bis(4-methylbenzenesulfonate)
Names & synonyms
Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)formamido)benzamido)-, di-p-toluenesulfonate16760-09-1DTXSID30168329RefChem:378737DTXCID10908201-Ethyl-6-(p-((1-ethylquinolium-6-yl)formamido)benzamido)quinolium di-p-toluenesulfonate1-Ethyl-6-(p-((1-ethylquinolium-6-yl)formamido)benzamido)quinolium di-p-toluenesulfonateCHEMBL32306061-Ethyl-6-({4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl}carbamoyl)quinolin-1-ium bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
16760-09-1- PubChem CID
- 204641
- DTXSID
DTXSID30168329- ChEMBL
CHEMBL3230606
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
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Compound notes
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