1-dodecyl-6-fluoranyl-7-(2-hydroxyethylamino)-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-dodecyl-6-fluoranyl-7-(2-hydroxyethylamino)-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-dodecyl-6-fluoro-7-(2-hydroxyethylamino)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-dodecyl-6-fluoro-7-(2-hydroxyethylamino)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-dodecyl-6-fluoro-7-(2-hydroxyethylamino)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 6-fluoro-7-(2-hydroxyethylamino)-4-keto-1-lauryl-3H-quinolin-1-ium-3-carboxylic acid Formula: C24H36FN2O4+ MolecularWeight: 435.552043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NCCO)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NCCO)F)C(=O)O

InChI

InChI=1S/C24H35FN2O4/c1-2-3-4-5-6-7-8-9-10-11-13-27-17-19(24(30)31)23(29)18-15-20(25)21(16-22(18)27)26-12-14-28/h15-17,19,28H,2-14H2,1H3,(H-,26,29,30,31)/p+1