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28866-60-6 | (4-acetyloxy-1,1,3,6-tetramethyl-4-phenyl-5,6-dihydro-2H-pyridin-3-yl)methyl-trimethyl-azanium diiodide
CAS No: 28866-60-6 Catalog No: AG00BKEG MDL No:
Product Description
Catalog Number:
AG00BKEG
Chemical Name:
(4-acetyloxy-1,1,3,6-tetramethyl-4-phenyl-5,6-dihydro-2H-pyridin-3-yl)methyl-trimethyl-azanium diiodide
CAS Number:
28866-60-6
IUPAC Name:
(4-acetyloxy-1,1,3,6-tetramethyl-4-phenylpiperidin-1-ium-3-yl)methyl-trimethylazanium;diiodide
InChI:
InChI=1S/C21H36N2O2.2HI/c1-17-14-21(25-18(2)24,19-12-10-9-11-13-19)20(3,15-22(4,5)6)16-23(17,7)8;;/h9-13,17H,14-16H2,1-8H3;2*1H/q+2;;/p-2
InChI Key:
IVHSRKJVBWNRHN-UHFFFAOYSA-L
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.087g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.34g/mol
Monoisotopic Mass:
602.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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