8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-

CAS Registry Number®

5937-29-1

CAS Name

8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-

Molecular Formula

C18H24NO4.I

Cite this Page

8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5937-29-1 (retrieved 2024-12-29) (CAS RN: 5937-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=NUJUJJCMBQWIFW-JRJWNBDDSA-M

SMILES

C(OC)(=O)[C@@H]1[C@@]2([N+](C)(C)[C@](C[C@@H]1OC(=O)C3=CC=CC=C3)(CC2)[H])[H].[I-]

Canonical SMILES

[I-].O=C(OC1CC2CCC(C1C(=O)OC)[N+]2(C)C)C=3C=CC=CC3

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-
  • 1αH,5αH-Tropanium, 2β-carboxy-3β-hydroxy-8-methyl-, iodide, methyl ester, benzoate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide, [1R-(exo,exo)]-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide, (1R,2R,3S,5S)-
  • Cocaine methiodide

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