N-(4-fluorophenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(4-fluorophenyl)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C18H22FN6O2+ MolecularWeight: 373.404683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC(=O)NC2=CC=C(C=C2)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC(=O)NC2=CC=C(C=C2)F)C3=NC=CC=N3

InChI

InChI=1S/C18H21FN6O2/c19-14-2-4-15(5-3-14)23-16(26)12-22-17(27)13-24-8-10-25(11-9-24)18-20-6-1-7-21-18/h1-7H,8-13H2,(H,22,27)(H,23,26)/p+1