RefMet Compound Details
MW structure | 146069 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Tiotropium | |
Systematic name | (1R,2S,4R,5S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium | |
SMILES | C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@@H]1[C@H]2O1)OC(=O)C(c1cccs1)(c1cccs1)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 392.099025 (neutral) |