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

Systemtic Name: 2-oxidanylidene-1,1-diphenyl-2-[[1-(3-phenylprop-2-ynyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]ethanolate Openeye Name: 2-oxo-1,1-diphenyl-2-[1-(3-phenylprop-2-ynyl)quinuclidin-1-ium-3-yl]oxy-ethanolate CAS Name: 2-oxo-1,1-diphenyl-2-[[1-(3-phenylprop-2-ynyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]ethanolate IUPAC Name: 2-oxo-1,1-diphenyl-2-[[1-(3-phenylprop-2-ynyl)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]ethanolate Traditional Name: 2-keto-1,1-diphenyl-2-[1-(3-phenylprop-2-ynyl)quinuclidin-1-ium-3-yl]oxy-ethanolate Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])CC#CC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])CC#CC5=CC=CC=C5

InChI

InChI=1S/C30H29NO3/c32-29(30(33,26-14-6-2-7-15-26)27-16-8-3-9-17-27)34-28-23-31(21-18-25(28)19-22-31)20-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,25,28H,18-23H2