diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide

Systemtic Name: diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide Openeye Name: [1-(2-benzyloxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide CAS Name: diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide IUPAC Name: diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide Traditional Name: [1-(2-benzoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide Formula: C28H32BrNO2 MolecularWeight: 494.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H32NO2.BrH/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-16-18-29(23-27,19-17-27)20-21-31-22-24-10-4-1-5-11-24;/h1-15,30H,16-23H2;1H/q+1;/p-1