2-phenyl-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-phenyl-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide CAS Name: 2-phenyl-N-(3-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-phenyl-N-(pyridin-1-ium-3-ylmethyl)cinchoninamide Formula: C22H18N3O+ MolecularWeight: 340.39782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C22H17N3O/c26-22(24-15-16-7-6-12-23-14-16)19-13-21(17-8-2-1-3-9-17)25-20-11-5-4-10-18(19)20/h1-14H,15H2,(H,24,26)/p+1