(1R,2R,3S,5S)-3-(Benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-8-Azoniabicyclo[3.2.1]octane iodide
[CAS# 5937-29-1]

Identification

• Name: (1R,2R,3S,5S)-3-(Benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-8-Azoniabicyclo[3.2.1]octane iodide
• Synonyms: (1R,2R,3S,5S)-3-Benzoyloxy-8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Iodide; Methyl (1R,2R,3S,5S)-8,8-Dimethyl-3-(Phenylcarbonyloxy)-8-Azoniabicyclo[3.2.1]Octane-2-Carboxylate Iodide; 1-Alpha-H,5-Alpha-H-Tropanium, 2-Beta-Carboxy-3-Beta-Hydroxy-8-Methyl-, Iodide, Methyl Ester, Benzoate
• Molecular Formula: C₁₈H₂₄INO₄
• Molecular Weight: 445.30
• CAS Registry Number: 5937-29-1
• SMILES: [C@@H]13CC[C@@H](C[C@@H]([C@@H]1C(OC)=O)OC(C2=CC=CC=C2)=O)[N+]3(C)C.[I-]
• InChI: 1S/C18H24NO4.HI/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12;/h4-8,13-16H,9-11H2,1-3H3;1H/q+1;/p-1/t13-,14+,15-,16+;/m0./s1
• InChIKey: NUJUJJCMBQWIFW-JRJWNBDDSA-M