ethyl 8-fluoranyl-5-methyl-4-(prop-2-enylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-fluoranyl-5-methyl-4-(prop-2-enylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(allylamino)-8-fluoro-5-methyl-quinolin-1-ium-3-carboxylate CAS Name: 8-fluoro-5-methyl-4-(prop-2-enylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-5-methyl-4-(prop-2-enylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(allylamino)-8-fluoro-5-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H18FN2O2+ MolecularWeight: 289.324723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2[NH+]=C1)F)C)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2[NH+]=C1)F)C)NCC=C

InChI

InChI=1S/C16H17FN2O2/c1-4-8-18-14-11(16(20)21-5-2)9-19-15-12(17)7-6-10(3)13(14)15/h4,6-7,9H,1,5,8H2,2-3H3,(H,18,19)/p+1