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

Systemtic Name: 1-(4-methylphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-methylphenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-methylphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-1-(p-tolyl)barbituric acid Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

InChI

InChI=1S/C19H24N4O3/c1-14-5-7-15(8-6-14)23-18(25)16(17(24)21-19(23)26)13-20-9-12-22-10-3-2-4-11-22/h5-8,13,20H,2-4,9-12H2,1H3,(H,21,24,26)/p+1