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

Systemtic Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoranyl-4-nitro-phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoro-4-nitro-phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[5-(4-ethyl-1-piperazin-4-iumyl)-2-fluoro-4-nitrophenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoro-4-nitrophenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[5-(4-ethylpiperazin-4-ium-1-yl)-2-fluoro-4-nitro-phenyl]-4-methyl-piperazin-4-ium Formula: C17H28FN5O2+2 MolecularWeight: 353.434923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CC[NH+](CC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H26FN5O2/c1-3-20-6-10-22(11-7-20)16-13-15(14(18)12-17(16)23(24)25)21-8-4-19(2)5-9-21/h12-13H,3-11H2,1-2H3/p+2