ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-fluoranyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-fluoranyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-fluoro-quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-fluoro-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-fluoroquinolin-1-ium-3-carboxylate Traditional Name: 6-fluoro-4-(homoveratrylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H24FN2O4+ MolecularWeight: 399.435363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)F

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)F

InChI

InChI=1S/C22H23FN2O4/c1-4-29-22(26)17-13-25-18-7-6-15(23)12-16(18)21(17)24-10-9-14-5-8-19(27-2)20(11-14)28-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,24,25)/p+1