[(2S)-1-[(2-fluoranyl-5-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-fluoranyl-5-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-fluoro-5-methyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(2-fluoro-5-methylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-fluoro-5-methylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-fluoro-5-methyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C12H18FN2O+ MolecularWeight: 225.282523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C12H17FN2O/c1-7(2)11(14)12(16)15-10-6-8(3)4-5-9(10)13/h4-7,11H,14H2,1-3H3,(H,15,16)/p+1/t11-/m0/s1