[(2S)-1-[(3-chloranyl-2-fluoranyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-chloranyl-2-fluoranyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(3-chloro-2-fluoro-phenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(3-chloro-2-fluoroanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-chloro-2-fluoroanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(3-chloro-2-fluoro-phenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C12H17ClFN2O+ MolecularWeight: 259.727583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=C(C(=CC=C1)Cl)F)[NH3+]

InChI

InChI=1S/C12H16ClFN2O/c1-7(2)6-9(15)12(17)16-10-5-3-4-8(13)11(10)14/h3-5,7,9H,6,15H2,1-2H3,(H,16,17)/p+1/t9-/m0/s1