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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H17FN7O2S+ MolecularWeight: 426.447383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H16FN7O2S/c20-16-3-1-2-4-17(16)30(28,29)27-9-7-26(8-10-27)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