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101655-92-9 | Cinchonan-9-ol, 6'-methoxy-, 1,1'-dioxide, (8α,9R)-
CAS No: 101655-92-9 Catalog No: AG00054B MDL No:
Product Description
Catalog Number:
AG00054B
Chemical Name:
Cinchonan-9-ol, 6'-methoxy-, 1,1'-dioxide, (8α,9R)-
CAS Number:
101655-92-9
Molecular Formula:
C20H24N2O4
Molecular Weight:
356.4156
IUPAC Name:
(5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol
InChI:
InChI=1S/C20H24N2O4/c1-3-13-12-22(25)9-7-14(13)10-19(22)20(23)16-6-8-21(24)18-5-4-15(26-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InChI Key:
BTIIQUQYRAFYJP-UHFFFAOYSA-N
SMILES:
C=C[C@H]1C[N+]2([O-])CCC1C[C@H]2[C@@H](c1cc[n+](c2c1cc(OC)cc2)[O-])O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.422g/mol
Monoisotopic Mass:
356.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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