[1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(5-phenoxypentyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(5-phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(5-phenoxypentyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C31H38BrNO2 MolecularWeight: 536.54292

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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)CCCCCOC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCCCOC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H38NO2.BrH/c33-31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)30-19-23-32(24-20-30,25-21-30)22-11-4-12-26-34-29-17-9-3-10-18-29;/h1-3,5-10,13-18,33H,4,11-12,19-26H2;1H/q+1;/p-1