1,4-bis(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide

Systemtic Name: 1,4-bis(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1,4-dibenzylquinuclidin-1-ium-3-one bromide CAS Name: 1,4-bis(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1,4-dibenzyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1,4-dibenzylquinuclidin-1-ium-3-one bromide Formula: C21H24BrNO MolecularWeight: 386.32536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(C(=O)C2)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(C(=O)C2)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H24NO.BrH/c23-20-17-22(16-19-9-5-2-6-10-19)13-11-21(20,12-14-22)15-18-7-3-1-4-8-18;/h1-10H,11-17H2;1H/q+1;/p-1