2-oxidanylidene-2-[[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-thiophen-3-yl-ethanolate

Systemtic Name: 2-oxidanylidene-2-[[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-thiophen-3-yl-ethanolate Openeye Name: 2-oxo-2-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]oxy-1-(2-thienyl)-1-(3-thienyl)ethanolate CAS Name: 2-oxo-2-[[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-(3-thiophenyl)ethanolate IUPAC Name: 2-oxo-2-[[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-thiophen-3-ylethanolate Traditional Name: 2-keto-2-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]oxy-1-(2-thienyl)-1-(3-thienyl)ethanolate Formula: C26H29NO4S2 MolecularWeight: 483.64276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)[O-])CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)[O-])CCCOC5=CC=CC=C5

InChI

InChI=1S/C26H29NO4S2/c28-24(26(29,21-9-19-32-20-21)23-8-4-18-33-23)31-25-10-14-27(15-11-25,16-12-25)13-5-17-30-22-6-2-1-3-7-22/h1-4,6-9,18-20H,5,10-17H2