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

Systemtic Name: diphenyl-[1-(4-phenylmethoxybutyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide Openeye Name: [1-(4-benzyloxybutyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide CAS Name: diphenyl-[1-(4-phenylmethoxybutyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide IUPAC Name: diphenyl-[1-(4-phenylmethoxybutyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide Traditional Name: [1-(4-benzoxybutyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide Formula: C30H36BrNO2 MolecularWeight: 522.51634

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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)CCCCOCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCCOCC5=CC=CC=C5.[Br-]

InChI

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