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

Systemtic Name: (5E)-1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-butyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-butyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O2S/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/b13-12+