6-methoxy-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-methoxy-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-methoxy-N-(6-morpholinopyridin-1-ium-3-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 6-methoxy-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-methoxy-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)-2-phenylquinoline-4-carboxamide Traditional Name: 6-methoxy-N-(6-morpholinopyridin-1-ium-3-yl)-2-phenyl-cinchoninamide Formula: C26H25N4O3+ MolecularWeight: 441.5017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C[NH+]=C(C=C3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C[NH+]=C(C=C3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3/c1-32-20-8-9-23-21(15-20)22(16-24(29-23)18-5-3-2-4-6-18)26(31)28-19-7-10-25(27-17-19)30-11-13-33-14-12-30/h2-10,15-17H,11-14H2,1H3,(H,28,31)/p+1