N-(2-ethylphenyl)-2-[4-(4-fluoranyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(4-fluoranyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(4-fluoro-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(4-fluoro-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(4-fluoro-3-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(4-fluoro-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24FN4O4+ MolecularWeight: 415.438063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O4/c1-2-15-5-3-4-6-18(15)23-20(27)14-24-9-11-25(12-10-24)21(28)16-7-8-17(22)19(13-16)26(29)30/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)/p+1