[1-[[2,6-bis(fluoranyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-[(2,6-difluorophenyl)methyl]quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide CAS Name: [1-[(2,6-difluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-[(2,6-difluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(2,6-difluorobenzyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol bromide Formula: C27H28BrF2NO MolecularWeight: 500.418126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=C(C=CC=C5F)F.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=C(C=CC=C5F)F.[Br-]

InChI

InChI=1S/C27H28F2NO.BrH/c28-24-12-7-13-25(29)23(24)20-30-17-14-26(15-18-30,16-19-30)27(31,21-8-3-1-4-9-21)22-10-5-2-6-11-22;/h1-13,31H,14-20H2;1H/q+1;/p-1