ethyl 4-[(4-fluorophenyl)methylamino]-6-methoxy-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methylamino]-6-methoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)methylamino]-6-methoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-[(4-fluorophenyl)methylamino]-6-methoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methylamino]-6-methoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-[(4-fluorobenzyl)amino]-6-methoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H20FN2O3+ MolecularWeight: 355.382803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H19FN2O3/c1-3-26-20(24)17-12-22-18-9-8-15(25-2)10-16(18)19(17)23-11-13-4-6-14(21)7-5-13/h4-10,12H,3,11H2,1-2H3,(H,22,23)/p+1