[2-[[5-fluoranyl-2-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[5-fluoranyl-2-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[5-fluoro-2-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[5-fluoro-2-[(3-methyl-1-oxobutyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[5-fluoro-2-(3-methylbutanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[5-fluoro-2-(isovalerylamino)anilino]-2-keto-ethyl]ammonium Formula: C13H19FN3O2+ MolecularWeight: 268.307263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O2/c1-8(2)5-12(18)16-10-4-3-9(14)6-11(10)17-13(19)7-15/h3-4,6,8H,5,7,15H2,1-2H3,(H,16,18)(H,17,19)/p+1