bis(4-methylbenzenesulfonate)4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide
bis(4-methylbenzenesulfonate);4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide
| Molecular Formula | C48H50N4O8S2 |
|---|---|
| Molecular Weight | 875.1 g/mol |
| Topological Polar Surface Area | 197.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 874.307 |
| Heavy Atoms | 62 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 18519-60-3 |
|---|---|
| SMILES | CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | PKJFWDQHJVDWCH-UHFFFAOYSA-N |
📖 Product Overview
bis(4-methylbenzenesulfonate)4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide (CAS: 18519-60-3) is a chemical compound with molecular formula C48H50N4O8S2 and molecular weight 875.1 g/mol. Its IUPAC systematic name is bis(4-methylbenzenesulfonate);4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide.
PKJFWDQHJVDWCH-UHFFFAOYSA-N.
SMILES: CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].
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