N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18BrFN5O+ MolecularWeight: 395.249423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrFN5O/c17-12-2-3-14(13(18)10-12)21-15(24)11-22-6-8-23(9-7-22)16-19-4-1-5-20-16/h1-5,10H,6-9,11H2,(H,21,24)/p+1