[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate
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[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate
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CAS No:
22059-05-8
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Formula:
C23H26NO3+
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Chemical Name:
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate
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Synonyms:
Trantelinium;UNII-84F4DRV925;84F4DRV925;Trantelinium ion;Trantelinium cation;CHEMBL2110722;[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate;Q27269523;1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, xanthene-9-carboxylate (ester);(1beta,5beta)-8,8-Dimethyl-3alpha-[(9H-xanthen-9-ylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane;22059-05-8
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CAS No:
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate Basic Attributes
364.5 g/mol
364.19126869 g/mol
84F4DRV925
Computed Properties
Molecular Weight:364.5
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:364.19126869
Monoisotopic Mass:364.19126869
Topological Polar Surface Area:35.5
Heavy Atom Count:27
Formal Charge:1
Complexity:538
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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