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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C)F

InChI

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