4-(3-morpholin-4-ium-4-ylpropylamino)-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-8-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Formula: C18H20F3N3O3 MolecularWeight: 383.36491

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C3C=CC=C(C3=NC=C2C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C3C=CC=C(C3=NC=C2C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3/c19-18(20,21)14-4-1-3-12-15(13(17(25)26)11-23-16(12)14)22-5-2-6-24-7-9-27-10-8-24/h1,3-4,11H,2,5-10H2,(H,22,23)(H,25,26)