ethyl 6-fluoranyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(benzylamino)-6-fluoro-quinolin-1-ium-3-carboxylate CAS Name: 6-fluoro-4-[(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-6-fluoroquinolin-1-ium-3-carboxylate Traditional Name: 4-(benzylamino)-6-fluoro-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H18FN2O2+ MolecularWeight: 325.356823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O2/c1-2-24-19(23)16-12-21-17-9-8-14(20)10-15(17)18(16)22-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,22)/p+1