N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C24H25F3N3O2S+ MolecularWeight: 476.53441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3N3O2S/c25-24(26,27)19-7-2-4-9-21(19)33-22-16-18(17-6-1-3-8-20(17)29-22)23(31)28-10-5-11-30-12-14-32-15-13-30/h1-4,6-9,16H,5,10-15H2,(H,28,31)/p+1