(2-chloranyl-6-fluoranyl-phenyl)methyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C13H11ClFN2O2+ MolecularWeight: 281.690043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)COC(=O)C2=C([NH+]=CC=C2)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)COC(=O)C2=C([NH+]=CC=C2)N)F

InChI

InChI=1S/C13H10ClFN2O2/c14-10-4-1-5-11(15)9(10)7-19-13(18)8-3-2-6-17-12(8)16/h1-6H,7H2,(H2,16,17)/p+1