4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-keto-2-phenyl-butyronitrile bromide Formula: C16H20BrN3O MolecularWeight: 350.2535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC(=O)C(C#N)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)C(C#N)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H20N3O.BrH/c17-12-15(14-4-2-1-3-5-14)16(20)13-19-9-6-18(7-10-19)8-11-19;/h1-5,15H,6-11,13H2;1H/q+1;/p-1