2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-[(2,4-difluorophenyl)thio]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-[(2,4-difluorophenyl)thio]-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C22H22F2N3O2S+ MolecularWeight: 430.490786

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O2S/c23-15-5-6-20(18(24)13-15)30-21-14-17(16-3-1-2-4-19(16)26-21)22(28)25-7-8-27-9-11-29-12-10-27/h1-6,13-14H,7-12H2,(H,25,28)/p+1