2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propyl-azaniumyl]ethanoate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propyl-azaniumyl]ethanoate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-propyl-ammonio]acetate CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-propylammonio]acetate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-propylazaniumyl]acetate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-propyl-ammonio]acetate Formula: C12H15ClFNO2 MolecularWeight: 259.704403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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