2-oxidanylidene-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-yl-ethanolate

Systemtic Name: 2-oxidanylidene-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-yl-ethanolate Openeye Name: 2-oxo-2-(1-prop-2-ynylquinuclidin-1-ium-3-yl)oxy-1,1-bis(2-thienyl)ethanolate CAS Name: 2-oxo-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-ylethanolate IUPAC Name: 2-oxo-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-ylethanolate Traditional Name: 2-keto-2-(1-propargylquinuclidin-1-ium-3-yl)oxy-1,1-bis(2-thienyl)ethanolate Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)[O-]

Isomeric SMILES

C#CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)[O-]

InChI

InChI=1S/C20H21NO3S2/c1-2-9-21-10-7-15(8-11-21)16(14-21)24-19(22)20(23,17-5-3-12-25-17)18-6-4-13-26-18/h1,3-6,12-13,15-16H,7-11,14H2