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Home > Encyclopedia > [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate structure

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate 

structure
  • CAS No:

    22059-05-8

  • Formula:

    C23H26NO3+

  • Chemical Name:

    [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate

  • 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

[(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

Characteristics

35.5 Ų

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

Guide of [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate

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