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847821-26-5 | Quinolinium, 4-[2-(4-methoxy-1-naphthalenyl)ethenyl]-1-methyl-, iodide
CAS No: 847821-26-5 Catalog No: AG004XOM MDL No:
Product Description
Catalog Number:
AG004XOM
Chemical Name:
Quinolinium, 4-[2-(4-methoxy-1-naphthalenyl)ethenyl]-1-methyl-, iodide
CAS Number:
847821-26-5
Molecular Formula:
C23H20INO
Molecular Weight:
453.3155
IUPAC Name:
4-[2-(4-methoxynaphthalen-1-yl)ethenyl]-1-methylquinolin-1-ium;iodide
InChI:
InChI=1S/C23H20NO.HI/c1-24-16-15-18(20-8-5-6-10-22(20)24)12-11-17-13-14-23(25-2)21-9-4-3-7-19(17)21;/h3-16H,1-2H3;1H/q+1;/p-1
InChI Key:
JCLAPNZHZMIYAZ-UHFFFAOYSA-M
SMILES:
COc1ccc(c2c1cccc2)C=Cc1cc[n+](c2c1cccc2)C.[I-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.059g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.323g/mol
Monoisotopic Mass:
453.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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