[2-[[5-fluoranyl-2-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[5-fluoranyl-2-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[5-fluoro-2-(2-methylpropanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[5-fluoro-2-[(2-methyl-1-oxopropyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[5-fluoro-2-(2-methylpropanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[5-fluoro-2-(isobutyrylamino)anilino]-2-keto-ethyl]ammonium Formula: C12H17FN3O2+ MolecularWeight: 254.280683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)F)NC(=O)C[NH3+]

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)F)NC(=O)C[NH3+]

InChI

InChI=1S/C12H16FN3O2/c1-7(2)12(18)16-9-4-3-8(13)5-10(9)15-11(17)6-14/h3-5,7H,6,14H2,1-2H3,(H,15,17)(H,16,18)/p+1