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

Systemtic Name: N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22FN4O4+ MolecularWeight: 401.411483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O4/c1-14-2-3-15(12-18(14)25(28)29)20(27)24-10-8-23(9-11-24)13-19(26)22-17-6-4-16(21)5-7-17/h2-7,12H,8-11,13H2,1H3,(H,22,26)/p+1