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

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-(2-thienyl)cinchoninamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c1-29-10-12-30(13-11-29)24-9-8-18(16-26-24)17-27-25(31)20-15-22(23-7-4-14-32-23)28-21-6-3-2-5-19(20)21/h2-9,14-16H,10-13,17H2,1H3,(H,27,31)/p+1