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90597-82-3 | 1-Ethyl-2-(3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl)quinolinium iodide
CAS No: 90597-82-3 Catalog No: AG006O2Z MDL No:
Product Description
Catalog Number:
AG006O2Z
Chemical Name:
1-Ethyl-2-(3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl)quinolinium iodide
CAS Number:
90597-82-3
Molecular Formula:
C25H25IN2
Molecular Weight:
480.3839
IUPAC Name:
1-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide
InChI:
InChI=1S/C25H25N2.HI/c1-3-26-19-18-20(23-13-6-8-15-25(23)26)11-9-12-22-17-16-21-10-5-7-14-24(21)27(22)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
AIUPVZRNWAATQJ-UHFFFAOYSA-M
SMILES:
CCn1ccc(=CC=Cc2ccc3c([n+]2CC)cccc3)c2c1cccc2.[I-]
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.106g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.393g/mol
Monoisotopic Mass:
480.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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