[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(2-phenoxyethyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C28H32BrNO2 MolecularWeight: 494.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H32NO2.BrH/c30-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)27-16-19-29(20-17-27,21-18-27)22-23-31-26-14-8-3-9-15-26;/h1-15,30H,16-23H2;1H/q+1;/p-1