N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[5-methyl-2-(2-pyridinyl)-1H-pyrazol-2-ium-3-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-2-(2-thienyl)cinchoninamide Formula: C23H18N5OS+ MolecularWeight: 412.48692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H17N5OS/c1-15-13-22(28(27-15)21-10-4-5-11-24-21)26-23(29)17-14-19(20-9-6-12-30-20)25-18-8-3-2-7-16(17)18/h2-14H,1H3,(H,26,27,29)/p+1