2-azanyl-4-(cyanomethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)piperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H17FN7+ MolecularWeight: 362.383583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

InChI

InChI=1S/C19H16FN7/c20-16-3-1-2-4-17(16)26-7-9-27(10-8-26)19-15(12-23)13(5-6-21)14(11-22)18(24)25-19/h1-4H,5,7-10H2,(H2,24,25)/p+1