(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(5-fluoranyl-2-nitro-phenoxy)propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(5-fluoranyl-2-nitro-phenoxy)propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(5-fluoro-2-nitro-phenoxy)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(5-fluoro-2-nitrophenoxy)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(5-fluoro-2-nitrophenoxy)propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(5-fluoro-2-nitro-phenoxy)propan-1-one Formula: C15H21FN3O4+ MolecularWeight: 326.343343

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C15H20FN3O4/c1-3-17-6-8-18(9-7-17)15(20)11(2)23-14-10-12(16)4-5-13(14)19(21)22/h4-5,10-11H,3,6-9H2,1-2H3/p+1/t11-/m0/s1