bis(3-fluorophenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol

Systemtic Name: bis(3-fluorophenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Openeye Name: bis(3-fluorophenyl)-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]methanol CAS Name: bis(3-fluorophenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol IUPAC Name: bis(3-fluorophenyl)-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Traditional Name: bis(3-fluorophenyl)-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]methanol Formula: C29H32F2NO2+ MolecularWeight: 464.566686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC(=CC=C3)F)(C4=CC(=CC=C4)F)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC(=CC=C3)F)(C4=CC(=CC=C4)F)O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C29H32F2NO2/c30-25-9-4-7-23(21-25)29(33,24-8-5-10-26(31)22-24)28-13-17-32(18-14-28,19-15-28)16-6-20-34-27-11-2-1-3-12-27/h1-5,7-12,21-22,33H,6,13-20H2/q+1