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

Systemtic Name: 2-(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-(3-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)cinchoninamide Formula: C23H20N3O2+ MolecularWeight: 370.4238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2/c1-28-18-10-8-17(9-11-18)22-13-20(19-6-2-3-7-21(19)26-22)23(27)25-15-16-5-4-12-24-14-16/h2-14H,15H2,1H3,(H,25,27)/p+1