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

Systemtic Name: [5-(4-fluoranyl-3-methyl-phenyl)-1,2-oxazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(4-fluoro-3-methyl-phenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(4-fluoro-3-methylphenyl)-3-isoxazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(4-fluoro-3-methyl-phenyl)isoxazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C15H17FN3O2+ MolecularWeight: 290.312783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NO2)C(=O)N3CC[NH2+]CC3)F

InChI

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