2-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(4-bromo-2-fluoro-benzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-bromo-2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(4-bromo-2-fluoro-benzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H19BrFN4O3+ MolecularWeight: 426.260163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H18BrFN4O3/c1-11-8-15(21-26-11)20-16(24)10-22-4-6-23(7-5-22)17(25)13-3-2-12(18)9-14(13)19/h2-3,8-9H,4-7,10H2,1H3,(H,20,21,24)/p+1