3-[4-(2-fluoranyl-5-methyl-4-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(2-fluoranyl-5-methyl-4-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2-fluoro-5-methyl-4-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2-fluoro-5-methyl-4-nitrophenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2-fluoro-5-methyl-4-nitro-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C14H18FN4O2+ MolecularWeight: 293.316723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C14H17FN4O2/c1-11-9-14(12(15)10-13(11)19(20)21)18-7-5-17(6-8-18)4-2-3-16/h9-10H,2,4-8H2,1H3/p+1