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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H22FN4O5+ MolecularWeight: 417.410883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O5/c21-15-2-1-3-16(12-15)22-19(26)13-23-8-10-24(11-9-23)20(27)14-30-18-6-4-17(5-7-18)25(28)29/h1-7,12H,8-11,13-14H2,(H,22,26)/p+1