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

Systemtic Name: N-(4-fluorophenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-fluorophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-fluorophenyl)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-fluorophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C23H24FN6O2+ MolecularWeight: 435.474063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C23H23FN6O2/c24-17-6-8-18(9-7-17)27-22(32)19-4-1-2-5-20(19)28-21(31)16-29-12-14-30(15-13-29)23-25-10-3-11-26-23/h1-11H,12-16H2,(H,27,32)(H,28,31)/p+1