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

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(3-methyl-5-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)acetamide Formula: C18H22FN4O3+ MolecularWeight: 361.390683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C18H21FN4O3/c1-12-9-18(26-21-12)20-17(25)11-22-5-7-23(8-6-22)16-4-3-14(13(2)24)10-15(16)19/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,25)/p+1