Quinolinium, 1-propyl-6-((p-(p-((1-propylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
Basic information
- CAS
19060-34-5- Standard SMILES
CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)cc2)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
IYVHHDBXKUVRPF-UHFFFAOYSA-N- Molecular formula
- C49H49N5O9S2
- Average molar mass
- 916.1 g/mol
- Monoisotopic mass
- 915.2971705
Names & identifiers
- Preferred name
- Quinolinium, 1-propyl-6-((p-(p-((1-propylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
- IUPAC
- bis(4-methylbenzenesulfonate);1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide
Names & synonyms
19060-34-5Quinolinium, 1-propyl-6-((p-(p-((1-propylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonateDTXSID70172546RefChem:378755DTXCID6095037CHEMBL32306161-Propyl-6-[4-({4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]quinolin-1-ium bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
19060-34-5- PubChem CID
- 208972
- DTXSID
DTXSID70172546- ChEMBL
CHEMBL3230616
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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