2-(5-methylthiophen-2-yl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide

Systemtic Name: 2-(5-methylthiophen-2-yl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-thienyl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-N-(3-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(5-methylthiophen-2-yl)-N-pyridin-1-ium-3-ylquinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-thienyl)-N-pyridin-1-ium-3-yl-cinchoninamide Formula: C20H16N3OS+ MolecularWeight: 346.42554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C[NH+]=CC=C4

InChI

InChI=1S/C20H15N3OS/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)23-18)20(24)22-14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24)/p+1