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

Systemtic Name: 2-(4-chlorophenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(3-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(pyridin-1-ium-3-ylmethyl)cinchoninamide Formula: C22H17ClN3O+ MolecularWeight: 374.84288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C22H16ClN3O/c23-17-9-7-16(8-10-17)21-12-19(18-5-1-2-6-20(18)26-21)22(27)25-14-15-4-3-11-24-13-15/h1-13H,14H2,(H,25,27)/p+1