2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,1-diphenyl-ethanol bromide

Systemtic Name: 2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,1-diphenyl-ethanol bromide Openeye Name: 2-(1-phenethylquinuclidin-1-ium-3-yl)-1,1-diphenyl-ethanol bromide CAS Name: 2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,1-diphenylethanol bromide IUPAC Name: 2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,1-diphenylethanol bromide Traditional Name: 2-(1-phenethylquinuclidin-1-ium-3-yl)-1,1-diphenyl-ethanol bromide Formula: C29H34BrNO MolecularWeight: 492.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H34NO.BrH/c31-29(27-12-6-2-7-13-27,28-14-8-3-9-15-28)22-26-23-30(20-17-25(26)18-21-30)19-16-24-10-4-1-5-11-24;/h1-15,25-26,31H,16-23H2;1H/q+1;/p-1