(2R)-2-(4-fluorophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2R)-2-(4-fluorophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-2-(4-fluorophenyl)acetonitrile CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-2-(4-fluorophenyl)acetonitrile Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-2-(4-fluorophenyl)acetonitrile Formula: C19H19FN3O+ MolecularWeight: 324.372063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O/c20-17-8-6-15(7-9-17)18(14-21)22-10-12-23(13-11-22)19(24)16-4-2-1-3-5-16/h1-9,18H,10-13H2/p+1/t18-/m0/s1