[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide Openeye Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide CAS Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenylmethanol bromide IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenylmethanol bromide Traditional Name: [1-(3-phenoxypropyl)-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)CCCOC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOC5=CC=CC=C5.[Br-]

InChI

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