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

Systemtic Name: diphenyl-[4-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]methanol bromide Openeye Name: [4-(2-benzyloxyethyl)quinuclidin-1-ium-1-yl]-diphenyl-methanol bromide CAS Name: diphenyl-[4-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]methanol bromide IUPAC Name: diphenyl-[4-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-1-yl]methanol bromide Traditional Name: [4-(2-benzoxyethyl)quinuclidin-1-ium-1-yl]-diphenyl-methanol bromide Formula: C29H34BrNO2 MolecularWeight: 508.48976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)CCOCC3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)CCOCC3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

InChI

InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)30-20-16-28(17-21-30,18-22-30)19-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1