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69821-46-1 | 1-[2-(Acetyloxy)ethyl]-2-methyl-4,6-diphenylpyridin-1-ium perchlorate
CAS No: 69821-46-1 Catalog No: AG01EX0F MDL No:
Product Description
Catalog Number:
AG01EX0F
Chemical Name:
1-[2-(Acetyloxy)ethyl]-2-methyl-4,6-diphenylpyridin-1-ium perchlorate
CAS Number:
69821-46-1
Molecular Formula:
C22H22ClNO6
Molecular Weight:
431.8662
IUPAC Name:
2-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl acetate;perchlorate
InChI:
InChI=1S/C22H22NO2.ClHO4/c1-17-15-21(19-9-5-3-6-10-19)16-22(20-11-7-4-8-12-20)23(17)13-14-25-18(2)24;2-1(3,4)5/h3-12,15-16H,13-14H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PVXISJHXCVHDEQ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC(=O)OCC[n+]1c(C)cc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.114g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.869g/mol
Monoisotopic Mass:
431.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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