2-[3-(1-azabicyclo[2.2.2]octan-2-yl)-4-iodanyl-phenyl]-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 2-[3-(1-azabicyclo[2.2.2]octan-2-yl)-4-iodanyl-phenyl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 2-hydroxy-2-(4-iodo-3-quinuclidin-2-yl-phenyl)-2-phenyl-acetate CAS Name: 2-[3-(1-azabicyclo[2.2.2]octan-2-yl)-4-iodophenyl]-2-hydroxy-2-phenylacetate IUPAC Name: 2-[3-(1-azabicyclo[2.2.2]octan-2-yl)-4-iodophenyl]-2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-(4-iodo-3-quinuclidin-2-yl-phenyl)-2-phenyl-acetate Formula: C21H21INO3- MolecularWeight: 462.30081

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2C3=C(C=CC(=C3)C(C4=CC=CC=C4)(C(=O)[O-])O)I

Isomeric SMILES

C1CN2CCC1CC2C3=C(C=CC(=C3)C(C4=CC=CC=C4)(C(=O)[O-])O)I

InChI

InChI=1S/C21H22INO3/c22-18-7-6-16(21(26,20(24)25)15-4-2-1-3-5-15)13-17(18)19-12-14-8-10-23(19)11-9-14/h1-7,13-14,19,26H,8-12H2,(H,24,25)/p-1