2-[1-(6-fluoranyl-2H-indazol-3-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[1-(6-fluoranyl-2H-indazol-3-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[1-(6-fluoro-2H-indazol-3-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[1-(6-fluoro-2H-indazol-3-yl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[1-(6-fluoro-2H-indazol-3-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[1-(6-fluoro-2H-indazol-3-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C13H15FN5+ MolecularWeight: 260.290103

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC#N)C2=C3C=CC(=CC3=NN2)F

Isomeric SMILES

C1C[N+](CCN1)(CC#N)C2=C3C=CC(=CC3=NN2)F

InChI

InChI=1S/C13H15FN5/c14-10-1-2-11-12(9-10)17-18-13(11)19(6-3-15)7-4-16-5-8-19/h1-2,9,16H,4-8H2,(H,17,18)/q+1