ethyl 4-(2-morpholin-4-ium-4-ylethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C19H23F3N3O3+ MolecularWeight: 398.39943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC[NH+]3CCOCC3)C=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC[NH+]3CCOCC3)C=CC=C2C(F)(F)F

InChI

InChI=1S/C19H22F3N3O3/c1-2-28-18(26)14-12-24-17-13(4-3-5-15(17)19(20,21)22)16(14)23-6-7-25-8-10-27-11-9-25/h3-5,12H,2,6-11H2,1H3,(H,23,24)/p+1