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Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C31H34BrNO4
- Molecular weight
- 564.5 g/mol
- IUPAC name
- [8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
- SMILES
- C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-]
- InChIKey
- MPLNGQBULSHWQW-UHFFFAOYSA-M
- Polar surface area
- 63.6 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- bromide
- Mass
- 563.1671206679999
- Has use
- medication
Show 4 more facts
- canonical SMILES
- C[N+]1(CC(=O)c2ccc(-c3ccccc3)cc2)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-]
- chemical formula
- C₃₁H₃₄BrNO₄
- defined daily dose
- 60.0
- isomeric SMILES
- [N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C3=CC=CC=C3)(CC(C4=CC=C(C=C4)C5=CC=CC=C5)=O)C.[Br-]
Sources (2)
via Wikidata · CC0