methyl 4-[(6-fluoranylquinolin-1-ium-4-yl)amino]benzoate

Systemtic Name: methyl 4-[(6-fluoranylquinolin-1-ium-4-yl)amino]benzoate Openeye Name: methyl 4-[(6-fluoroquinolin-1-ium-4-yl)amino]benzoate CAS Name: 4-[(6-fluoro-4-quinolin-1-iumyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-fluoroquinolin-1-ium-4-yl)amino]benzoate Traditional Name: 4-[(6-fluoroquinolin-1-ium-4-yl)amino]benzoic acid methyl ester Formula: C17H14FN2O2+ MolecularWeight: 297.303663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C=C2)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C=C2)F

InChI

InChI=1S/C17H13FN2O2/c1-22-17(21)11-2-5-13(6-3-11)20-16-8-9-19-15-7-4-12(18)10-14(15)16/h2-10H,1H3,(H,19,20)/p+1