N-(5-bromanylpyridin-1-ium-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-2-(2,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-2-(2,4-dimethylphenyl)cinchoninamide Formula: C23H19BrN3O+ MolecularWeight: 433.32046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=[NH+]C=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=[NH+]C=C(C=C4)Br)C

InChI

InChI=1S/C23H18BrN3O/c1-14-7-9-17(15(2)11-14)21-12-19(18-5-3-4-6-20(18)26-21)23(28)27-22-10-8-16(24)13-25-22/h3-13H,1-2H3,(H,25,27,28)/p+1