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24459-79-8 | 4-Pipecolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide
CAS No: 24459-79-8 Catalog No: AG00CCS8 MDL No:
Product Description
Catalog Number:
AG00CCS8
Chemical Name:
4-Pipecolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))bis(1-methyl-, diiodide
CAS Number:
24459-79-8
IUPAC Name:
2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone;diiodide
InChI:
InChI=1S/C30H42N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24H,13-22H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
CVMFLGWHIFTAHI-UHFFFAOYSA-L
Properties
Complexity:
627
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:
0
Undefined Bond Stereocenter Count:
0
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