2-phenyl-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide Openeye Name: 2-phenyl-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide CAS Name: 2-phenyl-N-(4-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-pyridin-1-ium-4-ylquinoline-4-carboxamide Traditional Name: 2-phenyl-N-pyridin-1-ium-4-yl-cinchoninamide Formula: C21H16N3O+ MolecularWeight: 326.37124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=[NH+]C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=[NH+]C=C4

InChI

InChI=1S/C21H15N3O/c25-21(23-16-10-12-22-13-11-16)18-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,22,23,25)/p+1