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

Systemtic Name: 5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-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-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCC[NH+]2CCCCC2

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCC[NH+]2CCCCC2

InChI

InChI=1S/C16H24N4O3/c1-3-8-20-15(22)13(14(21)18-16(20)23)12(2)17-7-11-19-9-5-4-6-10-19/h3,17H,1,4-11H2,2H3,(H,18,21,23)/p+1