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

Systemtic Name: 2-[(1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-(1-hex-2-ynylquinuclidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[(1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1-hex-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-(1-hex-2-ynylquinuclidin-1-ium-3-yl)oxy-2-keto-1,1-diphenyl-ethanolate Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO3/c1-2-3-4-11-18-28-19-16-22(17-20-28)25(21-28)31-26(29)27(30,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,22,25H,2-3,16-21H2,1H3