2-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C23H25ClN3O2S+ MolecularWeight: 442.9815

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3O2S/c24-17-5-3-6-18(15-17)30-22-16-20(19-7-1-2-8-21(19)26-22)23(28)25-9-4-10-27-11-13-29-14-12-27/h1-3,5-8,15-16H,4,9-14H2,(H,25,28)/p+1