Tiotropium

enlarge

Systematic / IUPAC Name: 7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane

ID: Reference2111

Other Names:

Formula: C19H22NO4S2 +

Class: Therapeutics/Prescription Drugs

Spectral Data

Tiotropium mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/27/2015 10:15:24 AM
View Mass Spec Data > >

Identificators

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
InChI Key LERNTVKEWCAPOY-UHFFFAOYSA-N
Canonical SMILES C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
CAS
Splash
Other Names

In Other Databases

Wikipedia Tiotropium bromide
ChemSpider 54818
PubChem 60831