2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[3-(1-piperidin-1-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-(3-piperidin-1-ium-1-ylpropyl)cinchoninamide Formula: C24H27FN3OS+ MolecularWeight: 424.554083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3OS/c25-18-9-11-19(12-10-18)30-23-17-21(20-7-2-3-8-22(20)27-23)24(29)26-13-6-16-28-14-4-1-5-15-28/h2-3,7-12,17H,1,4-6,13-16H2,(H,26,29)/p+1