2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-ethyl-5-methyl-4-isoxazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C19H24FN4O3+ MolecularWeight: 375.417263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C19H23FN4O3/c1-3-16-18(13(2)27-22-16)19(26)24-9-7-23(8-10-24)12-17(25)21-15-6-4-5-14(20)11-15/h4-6,11H,3,7-10,12H2,1-2H3,(H,21,25)/p+1