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

Systemtic Name: 2-oxidanylidene-1,1-diphenyl-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanolate Openeye Name: 2-oxo-1,1-diphenyl-2-(1-prop-2-ynylquinuclidin-1-ium-3-yl)oxy-ethanolate CAS Name: 2-oxo-1,1-diphenyl-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanolate IUPAC Name: 2-oxo-1,1-diphenyl-2-[(1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanolate Traditional Name: 2-keto-1,1-diphenyl-2-(1-propargylquinuclidin-1-ium-3-yl)oxy-ethanolate Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3/c1-2-15-25-16-13-19(14-17-25)22(18-25)28-23(26)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h1,3-12,19,22H,13-18H2