N-(4-fluorophenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-(5-methyl-2-nitrophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(5-methyl-2-nitrophenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(5-methyl-2-nitro-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H24FN4O5+ MolecularWeight: 431.437463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O5/c1-15-2-7-18(26(29)30)19(12-15)31-14-21(28)25-10-8-24(9-11-25)13-20(27)23-17-5-3-16(22)4-6-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)/p+1