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Home > Encyclopedia > methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate structure

methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate 

structure
  • CAS No:

    133097-15-1

  • Formula:

    C18H24NO4+

  • Chemical Name:

    methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

  • Synonyms:

    N-Methylcocaine cation;UNII-H0DEE7N3J2;H0DEE7N3J2;133097-15-1;8-Azoniabicyclo(3.2.1)octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, (1R-(exo,exo))-;Q27279406;(1R,2R,3S,5S)-3-(Benzoyloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate Basic Attributes

318.4 g/mol

318.17053325 g/mol

H0DEE7N3J2

Characteristics

52.6 Ų

Computed Properties

Molecular Weight:318.4
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:318.17053325
Monoisotopic Mass:318.17053325
Topological Polar Surface Area:52.6
Heavy Atom Count:23
Formal Charge:1
Complexity:470
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

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