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28866-33-3 | trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxy-5,6-dihydro-2H-pyridin-3-yl)methyl]azanium diiodide
CAS No: 28866-33-3 Catalog No: AG00CF1C MDL No:
Product Description
Catalog Number:
AG00CF1C
Chemical Name:
trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxy-5,6-dihydro-2H-pyridin-3-yl)methyl]azanium diiodide
CAS Number:
28866-33-3
IUPAC Name:
trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxypiperidin-1-ium-3-yl)methyl]azanium;diiodide
InChI:
InChI=1S/C22H38N2O2.2HI/c1-9-20(25)26-22(19-13-11-10-12-14-19)15-18(2)24(7,8)17-21(22,3)16-23(4,5)6;;/h10-14,18H,9,15-17H2,1-8H3;2*1H/q+2;;/p-2
InChI Key:
RCEHIOAQNFNNRJ-UHFFFAOYSA-L
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
616.102g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
616.367g/mol
Monoisotopic Mass:
616.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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