2-(5-methylfuran-2-yl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-methylfuran-2-yl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-furyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-furanyl)-N-(2-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(5-methylfuran-2-yl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-furyl)-N-(pyridin-1-ium-2-ylmethyl)cinchoninamide Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H17N3O2/c1-14-9-10-20(26-14)19-12-17(16-7-2-3-8-18(16)24-19)21(25)23-13-15-6-4-5-11-22-15/h2-12H,13H2,1H3,(H,23,25)/p+1