5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)NC1=O)NCC[NH+]2CCCCC2

Isomeric SMILES

CC(=C1C(=O)NC(=O)NC1=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C13H20N4O3/c1-9(10-11(18)15-13(20)16-12(10)19)14-5-8-17-6-3-2-4-7-17/h14H,2-8H2,1H3,(H2,15,16,18,19,20)/p+1