3-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-fluoro-2-nitrophenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-fluoro-2-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C13H16FN4O2+ MolecularWeight: 279.290143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15FN4O2/c14-11-2-3-12(13(10-11)18(19)20)17-8-6-16(7-9-17)5-1-4-15/h2-3,10H,1,5-9H2/p+1