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

Systemtic Name: (2S)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2S)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2S)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-3-keto-2-phenyl-butyronitrile Formula: C16H20N3O+ MolecularWeight: 270.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)[C@H](C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H20N3O/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/q+1/t15-/m1/s1