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

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-4-yl-ethanenitrile Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(4-pyridyl)acetonitrile CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-pyridin-4-ylacetonitrile IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-4-ylacetonitrile Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(4-pyridyl)acetonitrile Formula: C17H18FN4+ MolecularWeight: 297.350023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)21-9-11-22(12-10-21)17(13-19)14-5-7-20-8-6-14/h1-8,17H,9-12H2/p+1/t17-/m1/s1