2,7-dichloro-N-[1-(cycloocten-1-ylmethyl)-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide


Chemical Name: 2,7-dichloro-N-[1-(cycloocten-1-ylmethyl)-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
CAS Number: 353791-85-2
Product Number: AG007CPC(AGN-PC-0IU425)
Synonyms:
MDL No:
Molecular Formula: C30H37Cl2IN2O2
Molecular Weight: 655.4374

Identification/Properties


Computed Properties
Molecular Weight:
655.442g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
654.128g/mol
Monoisotopic Mass:
654.128g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
755
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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