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110816-63-2 | Quinolinium, 1-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-, iodide
CAS No: 110816-63-2 Catalog No: AG007C2U MDL No:
Product Description
Catalog Number:
AG007C2U
Chemical Name:
Quinolinium, 1-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-, iodide
CAS Number:
110816-63-2
Molecular Formula:
C21H22INO3
Molecular Weight:
463.3088
IUPAC Name:
1-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide
InChI:
InChI=1S/C21H22NO3.HI/c1-22-17(12-10-16-7-5-6-8-18(16)22)11-9-15-13-19(23-2)21(25-4)20(14-15)24-3;/h5-14H,1-4H3;1H/q+1;/p-1
InChI Key:
UPSRLILKTPIRSI-UHFFFAOYSA-M
SMILES:
COc1c(OC)cc(cc1OC)C=Cc1ccc2c([n+]1C)cccc2.[I-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.064g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.315g/mol
Monoisotopic Mass:
463.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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