(2S)-3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butanenitrile

Systemtic Name: (2S)-3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butanenitrile Openeye Name: (2S)-4-(4-benzylpiperidin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-3-oxo-2-phenyl-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]butanenitrile IUPAC Name: (2S)-4-(4-benzylpiperidin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-(4-benzylpiperidin-1-ium-1-yl)-3-keto-2-phenyl-butyronitrile Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C(C#N)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)[C@H](C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O/c23-16-21(20-9-5-2-6-10-20)22(25)17-24-13-11-19(12-14-24)15-18-7-3-1-4-8-18/h1-10,19,21H,11-15,17H2/p+1/t21-/m1/s1