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

Systemtic Name: 2-(5-methylfuran-2-yl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-furyl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-furanyl)-N-(4-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(5-methylfuran-2-yl)-N-pyridin-1-ium-4-ylquinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-furyl)-N-pyridin-1-ium-4-yl-cinchoninamide Formula: C20H16N3O2+ MolecularWeight: 330.35994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=[NH+]C=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=[NH+]C=C4

InChI

InChI=1S/C20H15N3O2/c1-13-6-7-19(25-13)18-12-16(15-4-2-3-5-17(15)23-18)20(24)22-14-8-10-21-11-9-14/h2-12H,1H3,(H,21,22,24)/p+1