(2S)-2-[(3-fluorophenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3-fluorophenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(3-fluorophenyl)methyl-methyl-ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(3-fluorophenyl)methyl-methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-fluorophenyl)methyl-methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(3-fluorobenzyl)-methyl-ammonio]-3-methyl-butyrate Formula: C13H18FNO2 MolecularWeight: 239.285923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](C)CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](C)CC1=CC(=CC=C1)F

InChI

InChI=1S/C13H18FNO2/c1-9(2)12(13(16)17)15(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H,16,17)/t12-/m0/s1