Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C21H28BrNO4
- Molecular weight
- 438.4 g/mol
- IUPAC name
- [(1S,2S,4R,5R)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate bromide
- SMILES
- C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4)CC5CC5.[Br-]
- InChIKey
- WDURTRGFUGAJHA-MMQBYREUSA-M
- Polar surface area
- 59.1 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 437.12017
Show 3 more facts
- chemical formula
- C₂₁H₂₈BrNO₄
- canonical SMILES
- C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)CC5CC5.[Br-]
- isomeric SMILES
- C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4)CC5CC5.[Br-]
Sources (1)
via Wikidata · CC0