6,7-dimethoxy-3-[(3-morpholin-4-ium-4-ylpropylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione

Systemtic Name: 6,7-dimethoxy-3-[(3-morpholin-4-ium-4-ylpropylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(3-morpholin-4-ium-4-ylpropylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[3-(4-morpholin-4-iumyl)propylamino]methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(3-morpholin-4-ium-4-ylpropylamino)methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(3-morpholin-4-ium-4-ylpropylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-quinone Formula: C19H26N3O6+ MolecularWeight: 392.42624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(NCCC[NH+]3CCOCC3)O)C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(NCCC[NH+]3CCOCC3)O)C(=O)N2)OC

InChI

InChI=1S/C19H25N3O6/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-4-3-5-22-6-8-28-9-7-22/h10-11,20,24H,3-9H2,1-2H3,(H,21,25)/p+1