1-(3-bromanyl-2-fluoranyl-4-nitro-phenyl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(3-bromanyl-2-fluoranyl-4-nitro-phenyl)-4-methyl-piperazin-4-ium Openeye Name: 1-(3-bromo-2-fluoro-4-nitro-phenyl)-4-methyl-piperazin-4-ium CAS Name: 1-(3-bromo-2-fluoro-4-nitrophenyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(3-bromo-2-fluoro-4-nitrophenyl)-4-methylpiperazin-4-ium Traditional Name: 1-(3-bromo-2-fluoro-4-nitro-phenyl)-4-methyl-piperazin-4-ium Formula: C11H14BrFN3O2+ MolecularWeight: 319.150163

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])Br)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])Br)F

InChI

InChI=1S/C11H13BrFN3O2/c1-14-4-6-15(7-5-14)9-3-2-8(16(17)18)10(12)11(9)13/h2-3H,4-7H2,1H3/p+1