(2R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxo-2-phenyl-butanenitrile CAS Name: (2R)-4-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-oxo-2-phenylbutanenitrile IUPAC Name: (2R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxo-2-phenylbutanenitrile Traditional Name: (2R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-keto-2-phenyl-butyronitrile Formula: C20H21FN3O+ MolecularWeight: 338.398643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[C@@H](C#N)C2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O/c21-18-8-4-5-9-19(18)24-12-10-23(11-13-24)15-20(25)17(14-22)16-6-2-1-3-7-16/h1-9,17H,10-13,15H2/p+1/t17-/m0/s1