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

Systemtic Name: diphenyl-[1-(3-phenylmethoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Openeye Name: [1-(3-benzyloxypropyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: diphenyl-[1-(3-phenylmethoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide IUPAC Name: diphenyl-[1-(3-phenylmethoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide Traditional Name: [1-(3-benzoxypropyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C30H36BrNO2 MolecularWeight: 522.51634

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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)CCCOCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H36NO2.BrH/c32-30(27-13-6-2-7-14-27,28-15-8-3-9-16-28)29-17-21-31(22-18-29,23-19-29)20-10-24-33-25-26-11-4-1-5-12-26;/h1-9,11-16,32H,10,17-25H2;1H/q+1;/p-1