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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-[(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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