Molecule structure of Tiotropium bromide (CAS NO.139404-48-1):

Molecular Weight of Tiotropium bromide (CAS NO.139404-48-1): 472.41628 g/mol
Molecular Formula: C₁₉H₂₂BrNO₄S₂
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 471.017362
MonoIsotopic Mass: 471.017362
Topological Polar Surface Area: 59.1
Heavy Atom Count: 27
Complexity: 564
Defined Atom StereoCenter Count: 4 
Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
Isomeric SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
InChI: InChI=1S/C19H22NO4S2.BrH/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;1H/q+1;/p-1/t11,12-,13+,16+,17-;
InChIKey of Tiotropium bromide (CAS NO.139404-48-1): DQHNAVOVODVIMG-CJTHRXGHSA-M

 Tiotropium bromide (CAS NO.139404-48-1) is also named as 6beta,7beta-Epoxy-3beta-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide, di-2-thienylglycolate ; 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((hydroxydi-2-
thienylacetyl)oxy)-9,9-dimethyl-, bromide, hydrate, (1alpha,2beta,4beta,5alpha,7beta)- .