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

Systemtic Name: (5E)-1-(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(2-methoxyphenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)/C(=C/NCC[NH+]3CCCCC3)/C(=O)NC2=S

InChI

InChI=1S/C19H24N4O3S/c1-26-16-8-4-3-7-15(16)23-18(25)14(17(24)21-19(23)27)13-20-9-12-22-10-5-2-6-11-22/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3,(H,21,24,27)/p+1/b14-13+