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

Systemtic Name: diphenyl-[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Openeye Name: diphenyl-[1-(4-phenylbutyl)quinuclidin-1-ium-4-yl]methanol bromide CAS Name: diphenyl-[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide IUPAC Name: diphenyl-[1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Traditional Name: diphenyl-[1-(4-phenylbutyl)quinuclidin-1-ium-4-yl]methanol bromide Formula: C30H36BrNO MolecularWeight: 506.51694

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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)CCCCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H36NO.BrH/c32-30(27-15-6-2-7-16-27,28-17-8-3-9-18-28)29-19-23-31(24-20-29,25-21-29)22-11-10-14-26-12-4-1-5-13-26;/h1-9,12-13,15-18,32H,10-11,14,19-25H2;1H/q+1;/p-1