4-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl]piperazin-4-ium-2-one Formula: C15H17FN3O2+ MolecularWeight: 290.312783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C[NH+]2CCNC(=O)C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1C[NH+]2CCNC(=O)C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H16FN3O2/c1-10-13(8-19-7-6-17-14(20)9-19)18-21-15(10)11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,20)/p+1