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104816-89-9 | Quinolinium, 4-[2-(4-methoxyphenyl)ethenyl]-1-methyl-, iodide
CAS No: 104816-89-9 Catalog No: AG007GC6 MDL No:
Product Description
Catalog Number:
AG007GC6
Chemical Name:
Quinolinium, 4-[2-(4-methoxyphenyl)ethenyl]-1-methyl-, iodide
CAS Number:
104816-89-9
Molecular Formula:
C19H18INO
Molecular Weight:
403.2568
IUPAC Name:
4-[2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium;iodide
InChI:
InChI=1S/C19H18NO.HI/c1-20-14-13-16(18-5-3-4-6-19(18)20)10-7-15-8-11-17(21-2)12-9-15;/h3-14H,1-2H3;1H/q+1;/p-1
InChI Key:
KBCWEXAFMMQCAN-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)C=Cc1cc[n+](c2c1cccc2)C.[I-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.263g/mol
Monoisotopic Mass:
403.043g/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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