N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H22FN4O4+ MolecularWeight: 401.411483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O4/c21-16-2-1-3-17(13-16)22-19(26)14-23-8-10-24(11-9-23)20(27)12-15-4-6-18(7-5-15)25(28)29/h1-7,13H,8-12,14H2,(H,22,26)/p+1