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

Systemtic Name: 2-oxidanylidene-2-[(1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-diphenyl-ethanolate Openeye Name: 2-oxo-2-(1-pent-2-ynylquinuclidin-1-ium-3-yl)oxy-1,1-diphenyl-ethanolate CAS Name: 2-oxo-2-[(1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-diphenylethanolate IUPAC Name: 2-oxo-2-[(1-pent-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-1,1-diphenylethanolate Traditional Name: 2-keto-2-(1-pent-2-ynylquinuclidin-1-ium-3-yl)oxy-1,1-diphenyl-ethanolate Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3/c1-2-3-10-17-27-18-15-21(16-19-27)24(20-27)30-25(28)26(29,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,21,24H,2,15-20H2,1H3