[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl] 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid [1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl] ester Formula: C23H28NO4+ MolecularWeight: 382.47272

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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/C23H28NO4/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/h1-10,21,25H,11-18H2/q+1