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

Systemtic Name: 2-oxidanylidene-2-[(1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-yl-ethanolate Openeye Name: 2-oxo-2-(1-pent-2-ynylquinuclidin-1-ium-3-yl)oxy-1,1-bis(2-thienyl)ethanolate CAS Name: 2-oxo-2-[(1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-ylethanolate IUPAC Name: 2-oxo-2-[(1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-dithiophen-2-ylethanolate Traditional Name: 2-keto-2-(1-pent-2-ynylquinuclidin-1-ium-3-yl)oxy-1,1-bis(2-thienyl)ethanolate Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S2/c1-2-3-4-11-23-12-9-17(10-13-23)18(16-23)26-21(24)22(25,19-7-5-14-27-19)20-8-6-15-28-20/h5-8,14-15,17-18H,2,9-13,16H2,1H3