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

Systemtic Name: 2-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-(4-fluoro-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-fluoro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C18H19F2N4O3+ MolecularWeight: 377.365266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F2N4O3/c19-13-2-1-3-15(10-13)21-18(25)12-22-6-8-23(9-7-22)16-5-4-14(20)11-17(16)24(26)27/h1-5,10-11H,6-9,12H2,(H,21,25)/p+1