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

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-azaniumyl]propanoate Openeye Name: (2S)-2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-ammonio]propanoate CAS Name: (2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylammonio]propanoate IUPAC Name: (2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylazaniumyl]propanoate Traditional Name: (2S)-2-[(2-chloro-6-fluoro-benzyl)-methyl-ammonio]propionate Formula: C11H13ClFNO2 MolecularWeight: 245.677823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClFNO2/c1-7(11(15)16)14(2)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3,(H,15,16)/t7-/m0/s1