1-(2-fluoranyl-5-methyl-4-nitro-phenyl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2-fluoranyl-5-methyl-4-nitro-phenyl)-4-methyl-piperazin-4-ium Openeye Name: 1-(2-fluoro-5-methyl-4-nitro-phenyl)-4-methyl-piperazin-4-ium CAS Name: 1-(2-fluoro-5-methyl-4-nitrophenyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(2-fluoro-5-methyl-4-nitrophenyl)-4-methylpiperazin-4-ium Traditional Name: 1-(2-fluoro-5-methyl-4-nitro-phenyl)-4-methyl-piperazin-4-ium Formula: C12H17FN3O2+ MolecularWeight: 254.280683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FN3O2/c1-9-7-12(10(13)8-11(9)16(17)18)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3/p+1