4-fluoranyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H17F4N4+ MolecularWeight: 365.347993

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F4N4/c19-16-3-1-13(10-23)9-14(16)12-25-5-7-26(8-6-25)17-4-2-15(11-24-17)18(20,21)22/h1-4,9,11H,5-8,12H2/p+1