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

Systemtic Name: (3E)-6,7-dimethoxy-3-[(2-morpholin-4-ium-4-ylethylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione chloride Openeye Name: (3E)-3-[hydroxy-(2-morpholin-4-ium-4-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-dione chloride CAS Name: (3E)-3-[hydroxy-[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione chloride IUPAC Name: (3E)-3-[hydroxy-(2-morpholin-4-ium-4-ylethylamino)methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione chloride Traditional Name: (3E)-3-[hydroxy-(2-morpholin-4-ium-4-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-quinone chloride Formula: C18H24ClN3O6 MolecularWeight: 413.85266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CCOCC3)O)C(=O)N2)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)/C(=C(/NCC[NH+]3CCOCC3)\O)/C(=O)N2)OC.[Cl-]

InChI

InChI=1S/C18H23N3O6.ClH/c1-25-13-9-11-12(10-14(13)26-2)20-18(24)15(16(11)22)17(23)19-3-4-21-5-7-27-8-6-21;/h9-10,19,23H,3-8H2,1-2H3,(H,20,24);1H/b17-15+;