[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,3-diphenyl-propanoate

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,3-diphenyl-propanoate Openeye Name: [1-(2-phenoxyethyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,3-diphenyl-propanoate CAS Name: 2-hydroxy-2,3-diphenylpropanoic acid [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,3-diphenylpropanoate Traditional Name: 2-hydroxy-2,3-diphenyl-propionic acid [1-(2-phenoxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C30H34NO4+ MolecularWeight: 472.59526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O)CCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O)CCOC5=CC=CC=C5

InChI

InChI=1S/C30H34NO4/c32-29(30(33,26-12-6-2-7-13-26)22-24-10-4-1-5-11-24)35-28-23-31(18-16-25(28)17-19-31)20-21-34-27-14-8-3-9-15-27/h1-15,25,28,33H,16-23H2/q+1