Basic information
- Name:
Quinoronium sulfate
- CAS No.:
34374-08-8
- Molecular Structure:
- Formula:
- C21H20N4O5S
- Molecular Weight:
- 440.47
- Synonyms:
- 1,3-Bis(1-methylquinolin-6-yl)urea sulfate;6,6-(Carbonyldiimino)bis(1-methylquinolinium) sulphate;
- EINECS:
- 251-973-5
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Specification
The Quinoronium sulfate, with the CAS registry number 34374-08-8, is also known as 6,6'-(Carbonyldiimino)bis(1-methylquinolinium) sulphate. Its EINECS number is 251-973-5. This chemical's molecular formula is C21H20N4O5S and molecular weight is 440.47. What's more, its systematic name is 1-Methyl-6-{[(1-methylquinolinium-6-yl)carbamoyl]amino}quinolinium sulfate.
Physical properties of Quinoronium sulfate are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 31.31 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S([O-])(=O)=O.O=C(Nc2cc1ccc[n+](c1cc2)C)Nc3ccc4c(c3)ccc[n+]4C
(2)InChI: InChI=1/C21H19N4O.H2O4S/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2;1-5(2,3)4/h3-14H,1-2H3,(H-,22,23,26);(H2,1,2,3,4)/q+1;/p-1
(3)InChIKey: CYJHJKHNVBPIHY-REWHXWOFAW