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

Systemtic Name: 2-oxidanylidene-2-[(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)oxy]-1-thiophen-2-yl-1-thiophen-3-yl-ethanolate Openeye Name: 2-oxo-2-(1-phenethylquinuclidin-1-ium-4-yl)oxy-1-(2-thienyl)-1-(3-thienyl)ethanolate CAS Name: 2-oxo-2-[(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)oxy]-1-thiophen-2-yl-1-(3-thiophenyl)ethanolate IUPAC Name: 2-oxo-2-[(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)oxy]-1-thiophen-2-yl-1-thiophen-3-ylethanolate Traditional Name: 2-keto-2-(1-phenethylquinuclidin-1-ium-4-yl)oxy-1-(2-thienyl)-1-(3-thienyl)ethanolate Formula: C25H27NO3S2 MolecularWeight: 453.61678

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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-])CCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)[O-])CCC5=CC=CC=C5

InChI

InChI=1S/C25H27NO3S2/c27-23(25(28,21-9-18-30-19-21)22-7-4-17-31-22)29-24-10-14-26(15-11-24,16-12-24)13-8-20-5-2-1-3-6-20/h1-7,9,17-19H,8,10-16H2