6,8-bis(bromanyl)-3-[(3-morpholin-4-ium-4-ylpropylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione

Systemtic Name: 6,8-bis(bromanyl)-3-[(3-morpholin-4-ium-4-ylpropylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione Openeye Name: 6,8-dibromo-3-[hydroxy-(3-morpholin-4-ium-4-ylpropylamino)methylene]-1H-quinoline-2,4-dione CAS Name: 6,8-dibromo-3-[hydroxy-[3-(4-morpholin-4-iumyl)propylamino]methylidene]-1H-quinoline-2,4-dione IUPAC Name: 6,8-dibromo-3-[hydroxy-(3-morpholin-4-ium-4-ylpropylamino)methylidene]-1H-quinoline-2,4-dione Traditional Name: 6,8-dibromo-3-[hydroxy-(3-morpholin-4-ium-4-ylpropylamino)methylene]-1H-quinoline-2,4-quinone Formula: C17H20Br2N3O4+ MolecularWeight: 490.1664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=C2C(=O)C3=CC(=CC(=C3NC2=O)Br)Br)O

Isomeric SMILES

C1COCC[NH+]1CCCNC(=C2C(=O)C3=CC(=CC(=C3NC2=O)Br)Br)O

InChI

InChI=1S/C17H19Br2N3O4/c18-10-8-11-14(12(19)9-10)21-17(25)13(15(11)23)16(24)20-2-1-3-22-4-6-26-7-5-22/h8-9,20,24H,1-7H2,(H,21,25)/p+1