2-(2,4-dichlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dichlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-dichlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(2,4-dichlorophenyl)-N-(2-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dichlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(2,4-dichlorophenyl)-N-(pyridin-1-ium-2-ylmethyl)cinchoninamide Formula: C22H16Cl2N3O+ MolecularWeight: 409.28794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)NCC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H15Cl2N3O/c23-14-8-9-17(19(24)11-14)21-12-18(16-6-1-2-7-20(16)27-21)22(28)26-13-15-5-3-4-10-25-15/h1-12H,13H2,(H,26,28)/p+1