5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]barbituric acid Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4/c23-16-15(12-19-6-7-21-8-10-26-11-9-21)17(24)22(18(25)20-16)13-14-4-2-1-3-5-14/h1-5,12,19H,6-11,13H2,(H,20,23,25)/p+1