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23617-25-6 | 3-Pipecolinium, (4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide
CAS No: 23617-25-6 Catalog No: AG00CCBO MDL No:
Product Description
Catalog Number:
AG00CCBO
Chemical Name:
3-Pipecolinium, (4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide
CAS Number:
23617-25-6
IUPAC Name:
2-(1,3-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,3-dimethylpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone;diiodide
InChI:
InChI=1S/C30H42N2O2.2HI/c1-23-7-5-17-31(3,19-23)21-29(33)27-13-9-25(10-14-27)26-11-15-28(16-12-26)30(34)22-32(4)18-6-8-24(2)20-32;;/h9-16,23-24H,5-8,17-22H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
XLBSPSPTUCNSTL-UHFFFAOYSA-L
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.134g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
716.487g/mol
Monoisotopic Mass:
716.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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