N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(2-thienyl)cinchoninamide Formula: C24H24N5OS+ MolecularWeight: 430.54526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H23N5OS/c1-28-10-12-29(13-11-28)23-9-8-17(16-25-23)26-24(30)19-15-21(22-7-4-14-31-22)27-20-6-3-2-5-18(19)20/h2-9,14-16H,10-13H2,1H3,(H,26,30)/p+1