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

Systemtic Name: 1-(2-methylphenyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(o-tolyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(o-tolyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(C)NCC[NH+]3CCCCC3)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(C)NCC[NH+]3CCCCC3)C(=O)NC2=O

InChI

InChI=1S/C20H26N4O3/c1-14-8-4-5-9-16(14)24-19(26)17(18(25)22-20(24)27)15(2)21-10-13-23-11-6-3-7-12-23/h4-5,8-9,21H,3,6-7,10-13H2,1-2H3,(H,22,25,27)/p+1