N-(2,3-dimethylphenyl)-2-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-2-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24FN4O3+ MolecularWeight: 387.427963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C20H23FN4O3/c1-14-4-3-5-17(15(14)2)22-20(26)13-23-8-10-24(11-9-23)18-7-6-16(21)12-19(18)25(27)28/h3-7,12H,8-11,13H2,1-2H3,(H,22,26)/p+1