Molecule Info: Tiotropium
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
Netcharge:
1
InChIKey:
LERNTVKEWCAPOY-DZZGSBJMNA-N
InChI:
1/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+
InChIcol:
1
More information (from its Standard Form):
Tiotropium
Complex structures in which this molecule appears :
Complex Structure ID: 174 Complex Structure ID: 176 Complex Structure ID: 193
References in which this molecule is mentioned:
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.
Image of the Specific State
