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

Systemtic Name: diphenyl-[1-(3-phenylmethoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide Openeye Name: [1-(3-benzyloxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide CAS Name: diphenyl-[1-(3-phenylmethoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide IUPAC Name: diphenyl-[1-(3-phenylmethoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]methanol bromide Traditional Name: [1-(3-benzoxypropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-diphenyl-methanol bromide Formula: C29H34BrNO2 MolecularWeight: 508.48976

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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)CCCOCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H34NO2.BrH/c31-29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)28-17-20-30(24-28,21-18-28)19-10-22-32-23-25-11-4-1-5-12-25;/h1-9,11-16,31H,10,17-24H2;1H/q+1;/p-1