N-pyridin-1-ium-3-yl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-pyridin-1-ium-3-yl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-pyridin-1-ium-3-yl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-pyridin-1-iumyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-pyridin-1-ium-3-yl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-pyridin-1-ium-3-yl-2-(2-thienyl)cinchoninamide Formula: C19H14N3OS+ MolecularWeight: 332.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C[NH+]=CC=C4

InChI

InChI=1S/C19H13N3OS/c23-19(21-13-5-3-9-20-12-13)15-11-17(18-8-4-10-24-18)22-16-7-2-1-6-14(15)16/h1-12H,(H,21,23)/p+1