tiotropium

Chemical data

Formula

C19H22NO4S2+

Molecular weight

392.5 g/mol

IUPAC name

[(1R,2S,4R,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate

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

InChIKey

LERNTVKEWCAPOY-KYQOMENCSA-N

XLogP

2.3

Polar surface area

116 Ų

H-bond donors

1

H-bond acceptors

6

Formal charge

1

via PubChem