2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(5-bromonicotinoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C18H19BrFN4O2+ MolecularWeight: 422.271463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrFN4O2/c19-14-9-13(10-21-11-14)18(26)24-7-5-23(6-8-24)12-17(25)22-16-3-1-15(20)2-4-16/h1-4,9-11H,5-8,12H2,(H,22,25)/p+1