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

Systemtic Name: 2-(2,4-dimethoxyphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethoxyphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(2,4-dimethoxyphenyl)-N-(4-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethoxyphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethoxyphenyl)-N-(pyridin-1-ium-4-ylmethyl)cinchoninamide Formula: C24H22N3O3+ MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=[NH+]C=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=[NH+]C=C4)OC

InChI

InChI=1S/C24H21N3O3/c1-29-17-7-8-19(23(13-17)30-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-15-16-9-11-25-12-10-16/h3-14H,15H2,1-2H3,(H,26,28)/p+1