1,3-dimethyl-5-[(2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[(2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(2-morpholinoquinolin-1-ium-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[2-(4-morpholinyl)-3-quinolin-1-iumyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[(2-morpholinoquinolin-1-ium-3-yl)methylene]barbituric acid Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H20N4O4/c1-22-18(25)15(19(26)23(2)20(22)27)12-14-11-13-5-3-4-6-16(13)21-17(14)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3/p+1