2-oxidanylidene-2-[[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-phenyl-ethanolate

Systemtic Name: 2-oxidanylidene-2-[[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-phenyl-ethanolate Openeye Name: 2-oxo-2-[1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl]oxy-1-phenyl-ethanolate CAS Name: 2-oxo-2-[[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-phenylethanolate IUPAC Name: 2-oxo-2-[[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]oxy]-1-phenylethanolate Traditional Name: 2-keto-2-[1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl]oxy-1-phenyl-ethanolate Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CC=C3)[O-])CCOC4=CC=CC=C4

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CC=C3)[O-])CCOC4=CC=CC=C4

InChI

InChI=1S/C23H27NO4/c25-21(19-7-3-1-4-8-19)22(26)28-23-11-14-24(15-12-23,16-13-23)17-18-27-20-9-5-2-6-10-20/h1-10,21H,11-18H2