4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-azaniumyl]butanoate

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-azaniumyl]butanoate Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-ammonio]butanoate CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylammonio]butanoate IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-methylazaniumyl]butanoate Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-methyl-ammonio]butyrate Formula: C12H15ClFNO2 MolecularWeight: 259.704403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClFNO2/c1-15(7-3-6-12(16)17)8-9-10(13)4-2-5-11(9)14/h2,4-5H,3,6-8H2,1H3,(H,16,17)