(2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chloro-6-fluoro-benzyl)-methyl-ammonio]-3-methyl-butyrate Formula: C13H17ClFNO2 MolecularWeight: 273.730983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](C)CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](C)CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H17ClFNO2/c1-8(2)12(13(17)18)16(3)7-9-10(14)5-4-6-11(9)15/h4-6,8,12H,7H2,1-3H3,(H,17,18)/t12-/m0/s1