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

Systemtic Name: diphenyl-[1-(4-phenylmethoxybutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Openeye Name: [1-(4-benzyloxybutyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol CAS Name: diphenyl-[1-(4-phenylmethoxybutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol IUPAC Name: diphenyl-[1-(4-phenylmethoxybutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Traditional Name: [1-(4-benzoxybutyl)quinuclidin-1-ium-4-yl]-diphenyl-methanol Formula: C31H38NO2+ MolecularWeight: 456.63892

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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)CCCCOCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCCOCC5=CC=CC=C5

InChI

InChI=1S/C31H38NO2/c33-31(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-18-22-32(23-19-30,24-20-30)21-10-11-25-34-26-27-12-4-1-5-13-27/h1-9,12-17,33H,10-11,18-26H2/q+1