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

Systemtic Name: (5E)-1-methyl-3-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-methyl-3-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-methyl-3-phenyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-methyl-3-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-methyl-3-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)N(C1=S)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)/C(=C\NCC[NH+]2CCCCC2)/C(=O)N(C1=S)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-21-17(24)16(14-20-10-13-22-11-6-3-7-12-22)18(25)23(19(21)26)15-8-4-2-5-9-15/h2,4-5,8-9,14,20H,3,6-7,10-13H2,1H3/p+1/b16-14+