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

Systemtic Name: 3-fluoranyl-4-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 3-fluoro-4-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 3-fluoro-4-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C18H20FN4+ MolecularWeight: 311.376603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H19FN4/c19-18-11-15(12-20)4-5-16(18)13-22-7-9-23(10-8-22)14-17-3-1-2-6-21-17/h1-6,11H,7-10,13-14H2/p+1