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

Systemtic Name: 1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1-benzylquinuclidin-1-ium-3-one bromide CAS Name: 1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1-benzyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1-benzylquinuclidin-1-ium-3-one bromide Formula: C14H18BrNO MolecularWeight: 296.20282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(=O)C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(=O)C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H18NO.BrH/c16-14-11-15(8-6-13(14)7-9-15)10-12-4-2-1-3-5-12;/h1-5,13H,6-11H2;1H/q+1;/p-1