N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(pyridin-1-ium-2-ylmethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(2-pyridin-1-iumylmethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(pyridin-1-ium-2-ylmethyl)-2-(2-thienyl)cinchoninamide Formula: C20H16N3OS+ MolecularWeight: 346.42554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C20H15N3OS/c24-20(22-13-14-6-3-4-10-21-14)16-12-18(19-9-5-11-25-19)23-17-8-2-1-7-15(16)17/h1-12H,13H2,(H,22,24)/p+1