Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
Basic information
- CAS
50308-87-7- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc2c(c1)c(Nc1ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)cc1)cc[n+]2C- InChIKey
WQICHULWQUHBEU-UHFFFAOYSA-N- Molecular formula
- C44H43N5O7S2
- Average molar mass
- 818 g/mol
- Monoisotopic mass
- 817.26039107
Names & identifiers
- Preferred name
- Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
- IUPAC
- 4-[(1,6-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate)
Names & synonyms
50308-87-7Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonateDTXSID70198322RefChem:378713DTXCID00120813CHEMBL32307481,6-Dimethyl-4-[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)anilino]quinolin-1-ium bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
50308-87-7- PubChem CID
- 206458
- DTXSID
DTXSID70198322- ChEMBL
CHEMBL3230748
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 886
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Compound notes
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