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

Systemtic Name: diphenyl-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Openeye Name: diphenyl-[1-(3-phenylpropyl)quinuclidin-1-ium-4-yl]methanol bromide CAS Name: diphenyl-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide IUPAC Name: diphenyl-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Traditional Name: diphenyl-[1-(3-phenylpropyl)quinuclidin-1-ium-4-yl]methanol bromide Formula: C29H34BrNO MolecularWeight: 492.49036

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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)CCCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCC5=CC=CC=C5.[Br-]

InChI

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