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

Systemtic Name: 1-[1-[5-(cyclopropylamino)-2-fluoranyl-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[1-[5-(cyclopropylamino)-2-fluoro-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[1-[5-(cyclopropylamino)-2-fluoro-4-nitrophenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-[5-(cyclopropylamino)-2-fluoro-4-nitrophenyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[1-[5-(cyclopropylamino)-2-fluoro-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanone Formula: C15H20FN4O3+ MolecularWeight: 323.342703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCNCC1)C2=C(C=C(C(=C2)NC3CC3)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)[N+]1(CCNCC1)C2=C(C=C(C(=C2)NC3CC3)[N+](=O)[O-])F

InChI

InChI=1S/C15H20FN4O3/c1-10(21)20(6-4-17-5-7-20)15-9-13(18-11-2-3-11)14(19(22)23)8-12(15)16/h8-9,11,17-18H,2-7H2,1H3/q+1