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

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylazaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(2-chloro-6-fluoro-phenyl)methylammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(2-chloro-6-fluorophenyl)methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(2-chloro-6-fluorophenyl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chloro-6-fluoro-benzyl)ammonio]-3-methyl-butyrate Formula: C12H15ClFNO2 MolecularWeight: 259.704403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH2+]CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H15ClFNO2/c1-7(2)11(12(16)17)15-6-8-9(13)4-3-5-10(8)14/h3-5,7,11,15H,6H2,1-2H3,(H,16,17)/t11-/m0/s1