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

Systemtic Name: 4-phenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1-benzyl-4-phenyl-quinuclidin-1-ium-3-one bromide CAS Name: 4-phenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1-benzyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1-benzyl-4-phenyl-quinuclidin-1-ium-3-one bromide Formula: C20H22BrNO MolecularWeight: 372.29878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO.BrH/c22-19-16-21(15-17-7-3-1-4-8-17)13-11-20(19,12-14-21)18-9-5-2-6-10-18;/h1-10H,11-16H2;1H/q+1;/p-1