propan-2-yl 4-[(6-fluoranylquinolin-1-ium-4-yl)amino]benzoate

Systemtic Name: propan-2-yl 4-[(6-fluoranylquinolin-1-ium-4-yl)amino]benzoate Openeye Name: isopropyl 4-[(6-fluoroquinolin-1-ium-4-yl)amino]benzoate CAS Name: 4-[(6-fluoro-4-quinolin-1-iumyl)amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(6-fluoroquinolin-1-ium-4-yl)amino]benzoate Traditional Name: 4-[(6-fluoroquinolin-1-ium-4-yl)amino]benzoic acid isopropyl ester Formula: C19H18FN2O2+ MolecularWeight: 325.356823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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