1-[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazino]ethanone Formula: C17H25FN5O3+ MolecularWeight: 366.410503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H24FN5O3/c1-13(24)20-7-9-22(10-8-20)16-12-15(14(18)11-17(16)23(25)26)21-5-3-19(2)4-6-21/h11-12H,3-10H2,1-2H3/p+1