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

Systemtic Name: 1-[(2S)-4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]-2-methyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2S)-4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]-2-methyl-piperazin-1-yl]ethanone CAS Name: 1-[(2S)-4-[5-(4-ethyl-1-piperazin-4-iumyl)-4-fluoro-2-nitrophenyl]-2-methyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2S)-4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitrophenyl]-2-methylpiperazin-1-yl]ethanone Traditional Name: 1-[(2S)-4-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]-2-methyl-piperazino]ethanone Formula: C19H29FN5O3+ MolecularWeight: 394.463663

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(C(C3)C)C(=O)C)[N+](=O)[O-])F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCN([C@H](C3)C)C(=O)C)[N+](=O)[O-])F

InChI

InChI=1S/C19H28FN5O3/c1-4-21-5-7-22(8-6-21)17-12-18(19(25(27)28)11-16(17)20)23-9-10-24(15(3)26)14(2)13-23/h11-12,14H,4-10,13H2,1-3H3/p+1/t14-/m0/s1