(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanenitrile Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetonitrile CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenylacetonitrile Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetonitrile Formula: C18H19FN3+ MolecularWeight: 296.361963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(14-20)15-4-2-1-3-5-15/h1-9,18H,10-13H2/p+1/t18-/m1/s1