(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol bromide

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol bromide Openeye Name: (1-phenethylquinuclidin-1-ium-3-yl)-diphenyl-methanol bromide CAS Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol bromide IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol bromide Traditional Name: (1-phenethylquinuclidin-1-ium-3-yl)-diphenyl-methanol bromide Formula: C28H32BrNO MolecularWeight: 478.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H32NO.BrH/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-22-29(20-17-24(27)18-21-29)19-16-23-10-4-1-5-11-23;/h1-15,24,27,30H,16-22H2;1H/q+1;/p-1