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

Systemtic Name: 2-oxidanylidene-2-[[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-thiophen-3-yl-ethanolate Openeye Name: 2-oxo-2-[1-(4-phenylbutyl)quinuclidin-1-ium-4-yl]oxy-1-(2-thienyl)-1-(3-thienyl)ethanolate CAS Name: 2-oxo-2-[[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-(3-thiophenyl)ethanolate IUPAC Name: 2-oxo-2-[[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-thiophen-2-yl-1-thiophen-3-ylethanolate Traditional Name: 2-keto-2-[1-(4-phenylbutyl)quinuclidin-1-ium-4-yl]oxy-1-(2-thienyl)-1-(3-thienyl)ethanolate Formula: C27H31NO3S2 MolecularWeight: 481.66994

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)[O-])CCCCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)[O-])CCCCC5=CC=CC=C5

InChI

InChI=1S/C27H31NO3S2/c29-25(27(30,23-11-20-32-21-23)24-10-6-19-33-24)31-26-12-16-28(17-13-26,18-14-26)15-5-4-9-22-7-2-1-3-8-22/h1-3,6-8,10-11,19-21H,4-5,9,12-18H2