N-(2-morpholin-4-ium-4-ylethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C23H23F3N3O2S+ MolecularWeight: 462.50783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2S/c24-23(25,26)18-6-2-4-8-20(18)32-21-15-17(16-5-1-3-7-19(16)28-21)22(30)27-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,27,30)/p+1