methyl 4-[(4-fluorophenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate

Systemtic Name: methyl 4-[(4-fluorophenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate Openeye Name: methyl 4-(4-fluoroanilino)-2-methyl-quinolin-1-ium-6-carboxylate CAS Name: 4-(4-fluoroanilino)-2-methyl-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluoroanilino)-2-methylquinolin-1-ium-6-carboxylate Traditional Name: 4-(4-fluoroanilino)-2-methyl-quinolin-1-ium-6-carboxylic acid methyl ester Formula: C18H16FN2O2+ MolecularWeight: 311.330243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)C(=O)OC)C(=C1)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)C(=O)OC)C(=C1)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O2/c1-11-9-17(21-14-6-4-13(19)5-7-14)15-10-12(18(22)23-2)3-8-16(15)20-11/h3-10H,1-2H3,(H,20,21)/p+1