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

Systemtic Name: 1-hexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-hexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-hexyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-hexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C18H31N4O3+ MolecularWeight: 351.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=O

InChI

InChI=1S/C18H30N4O3/c1-2-3-4-8-12-22-17(24)15(16(23)20-18(22)25)14-19-9-13-21-10-6-5-7-11-21/h14,19H,2-13H2,1H3,(H,20,23,25)/p+1