2-oxidanylidene-2-[[1-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-diphenyl-ethanolate

Systemtic Name: 2-oxidanylidene-2-[[1-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-diphenyl-ethanolate Openeye Name: 2-oxo-2-[1-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]quinuclidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate CAS Name: 2-oxo-2-[[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-diphenylethanolate IUPAC Name: 2-oxo-2-[[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-diphenylethanolate Traditional Name: 2-keto-2-[1-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]quinuclidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C29H32N2O4S MolecularWeight: 504.64038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])CC(=O)NCCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])CC(=O)NCCC5=CC=CS5

InChI

InChI=1S/C29H32N2O4S/c32-27(30-16-13-25-12-7-19-36-25)21-31-17-14-22(15-18-31)26(20-31)35-28(33)29(34,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,19,22,26H,13-18,20-21H2,(H,30,32)