2-[[(2S)-butan-2-yl]-[(2-chloranyl-6-fluoranyl-phenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(2S)-butan-2-yl]-[(2-chloranyl-6-fluoranyl-phenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2S)-butan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-[(1S)-1-methylpropyl]ammonio]acetate Formula: C13H17ClFNO2 MolecularWeight: 273.730983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClFNO2/c1-3-9(2)16(8-13(17)18)7-10-11(14)5-4-6-12(10)15/h4-6,9H,3,7-8H2,1-2H3,(H,17,18)/t9-/m0/s1