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100023-32-3

100023-32-3 | Quinolinium, 4-[2-[4-(acetylamino)phenyl]ethenyl]-1-methyl-, methyl sulfate (1:1)

CAS No: 100023-32-3 Catalog No: AG0000AW MDL No:

Product Description

Catalog Number:
AG0000AW
Chemical Name:
Quinolinium, 4-[2-[4-(acetylamino)phenyl]ethenyl]-1-methyl-, methyl sulfate (1:1)
CAS Number:
100023-32-3
IUPAC Name:
N-[4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl]acetamide;methyl sulfate
InChI:
InChI=1S/C20H18N2O.CH4O4S/c1-15(23)21-18-11-8-16(9-12-18)7-10-17-13-14-22(2)20-6-4-3-5-19(17)20;1-5-6(2,3)4/h3-14H,1-2H3;1H3,(H,2,3,4)
InChI Key:
DWIXBKNYEWUHAI-UHFFFAOYSA-N

Properties

Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.125g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
414.476g/mol
Monoisotopic Mass:
414.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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