2-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-4-pyridin-1-iumyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]cinchoninamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=CC(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN(C)C1=[NH+]C=CC(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26N4O3/c1-30(2)25-13-17(11-12-27-25)16-28-26(31)20-15-22(29-21-8-6-5-7-19(20)21)18-9-10-23(32-3)24(14-18)33-4/h5-15H,16H2,1-4H3,(H,28,31)/p+1