[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C29H34BrNO2 MolecularWeight: 508.48976

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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)CCCOC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOC5=CC=CC=C5.[Br-]

InChI

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