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

Systemtic Name: 1-phenyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-phenyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-phenyl-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-phenyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-phenyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCC[NH+]3CCCCC3

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O3/c1-14(20-10-13-22-11-6-3-7-12-22)16-17(24)21-19(26)23(18(16)25)15-8-4-2-5-9-15/h2,4-5,8-9,20H,3,6-7,10-13H2,1H3,(H,21,24,26)/p+1