2-[4-(dimethylamino)-8-fluoranyl-quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[4-(dimethylamino)-8-fluoranyl-quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)-8-fluoro-quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-8-fluoro-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-8-fluoroquinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)-8-fluoro-quinolin-1-ium-2-yl]acetate Formula: C13H13FN2O2 MolecularWeight: 248.252923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=CC=C2F)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=CC=C2F)CC(=O)[O-]

InChI

InChI=1S/C13H13FN2O2/c1-16(2)11-6-8(7-12(17)18)15-13-9(11)4-3-5-10(13)14/h3-6H,7H2,1-2H3,(H,17,18)