2-phenyl-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide Openeye Name: 2-phenyl-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide CAS Name: 2-phenyl-N-(3-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-pyridin-1-ium-3-ylquinoline-4-carboxamide Traditional Name: 2-phenyl-N-pyridin-1-ium-3-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=C[NH+]=CC=C4

Isomeric SMILES

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

InChI

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