[(2S)-1-[(2-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(2-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-amino-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-(2-amino-4-fluoroanilino)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-(2-amino-4-fluoroanilino)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-(2-amino-4-fluoro-anilino)-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C11H17FN3O+ MolecularWeight: 226.270583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)N)[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)N)[NH+](C)C

InChI

InChI=1S/C11H16FN3O/c1-7(15(2)3)11(16)14-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3,(H,14,16)/p+1/t7-/m0/s1