(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)acetonitrile Formula: C17H18FN4+ MolecularWeight: 297.350023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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