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

Systemtic Name: 1-butyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3/c1-3-4-11-21-16(23)14(15(22)19-17(21)24)13(2)18-8-12-20-9-6-5-7-10-20/h18H,3-12H2,1-2H3,(H,19,22,24)/p+1