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18420-49-0

18420-49-0 | Quinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl )-1-butenyl)-, iodide

CAS No: 18420-49-0 Catalog No: AG00B6H2 MDL No:

Product Description

Catalog Number:
AG00B6H2
Chemical Name:
Quinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl )-1-butenyl)-, iodide
CAS Number:
18420-49-0
IUPAC Name:
3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C23H23N2S.HI/c1-4-17(16-23-25(3)21-11-7-8-12-22(21)26-23)15-19-14-13-18-9-5-6-10-20(18)24(19)2;/h5-16H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
CNNLZFMCEPOKCI-UHFFFAOYSA-M

Properties

Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.063g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.415g/mol
Monoisotopic Mass:
486.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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