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

Systemtic Name: 1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=O

InChI

InChI=1S/C16H26N4O3/c1-2-3-10-20-15(22)13(14(21)18-16(20)23)12-17-7-11-19-8-5-4-6-9-19/h12,17H,2-11H2,1H3,(H,18,21,23)/p+1