N-cyclopropyl-N-[5-(1-ethanoylpiperazin-1-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]ethanamide

Systemtic Name: N-cyclopropyl-N-[5-(1-ethanoylpiperazin-1-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]ethanamide Openeye Name: N-[5-(1-acetylpiperazin-1-ium-1-yl)-4-fluoro-2-nitro-phenyl]-N-cyclopropyl-acetamide CAS Name: N-[5-(1-acetyl-1-piperazin-1-iumyl)-4-fluoro-2-nitrophenyl]-N-cyclopropylacetamide IUPAC Name: N-[5-(1-acetylpiperazin-1-ium-1-yl)-4-fluoro-2-nitrophenyl]-N-cyclopropylacetamide Traditional Name: N-[5-(1-acetylpiperazin-1-ium-1-yl)-4-fluoro-2-nitro-phenyl]-N-cyclopropyl-acetamide Formula: C17H22FN4O4+ MolecularWeight: 365.379383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)[N+]3(CCNCC3)C(=O)C

Isomeric SMILES

CC(=O)N(C1CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)[N+]3(CCNCC3)C(=O)C

InChI

InChI=1S/C17H22FN4O4/c1-11(23)20(13-3-4-13)15-10-17(14(18)9-16(15)21(25)26)22(12(2)24)7-5-19-6-8-22/h9-10,13,19H,3-8H2,1-2H3/q+1