(5E)-1-methyl-6-oxidanylidene-5-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-methyl-6-oxidanylidene-5-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-methyl-6-oxo-5-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-methyl-6-oxo-5-[[4-(1-piperidin-1-iumylmethyl)anilino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-methyl-6-oxo-5-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-methyl-5-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNC2=CC=C(C=C2)C[NH+]3CCCCC3)C(=NC1=S)[O-]

Isomeric SMILES

CN1C(=O)/C(=C/NC2=CC=C(C=C2)C[NH+]3CCCCC3)/C(=NC1=S)[O-]

InChI

InChI=1S/C18H22N4O2S/c1-21-17(24)15(16(23)20-18(21)25)11-19-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,20,23,25)/b15-11+