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Molecule record

[(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate

C20H30NO3

332.46 g/mol

Charge +

Loading structure

Molecular properties

Formula
C20H30NO3
Molar mass
332.46 g·mol−1
Exact mass
332.2220 Da
Formal charge
+
6.5
PubChem CID
657309

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane
  • 60205-81-4
  • 9TY76QB93Q
  • CHEBI:5956
  • CHEMBL1621597
  • CHEMBL1740585
  • GR88G0I6UL
  • HGQ623MT4H
Show all 24 synonyms
  • IPRATROPIUM [VANDF]
  • IPRATROPIUM [WHO-DD]
  • Ipatropium Bromide
  • Ipratropium cation
  • Ipratropium ion
  • Ipratropium, anti-
  • Ipratropium, exo,anti-
  • Ipratropium, exo-
  • N-Isopropylatropine
  • SCHEMBL3125
  • SCHEMBL7862886
  • ZEN3TX7PXM
  • [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
  • ipratropium
  • ipratropium bromide
  • orb1740455

Structure identifiers

Canonical SMILES
CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2
Isomeric SMILES
CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C
InChI
InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18?,19?,21?
InChIKey
OEXHQOGQTVQTAT-BZQJJPTISA-N
PubChem CID
657309

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record