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Ligand Download |
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| Ligand Name: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | ||
| HET ID: 0HK | PubChem: 5487427 | |
| DrugBank: DB01409 | ChEMBL: CHEMBL1900528 | |
| Canonical SMILES: O=C(C(c1cccs1)(c1cccs1)O)O[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | ||
| Standard InChI: InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | ||
| Molecular Formula: C19H22NO4S2+ | Mol. Weight: 392.51227 | Heavy Atoms: 26 |
| Charge: 1 | Is Chiral: True | logP: 2.3045 |
| HBD: 1 | HBA: 6 | TPSA: 115.54 |
| #Bonds: 35 | #Rotatable Bonds: 5 | Shape Complexity: 0.5263158 |
| Stereocomplexity: 0.2631579 | ||