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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

InChI

InChI=1S/C20H26N4O3/c1-2-15-6-8-16(9-7-15)24-19(26)17(18(25)22-20(24)27)14-21-10-13-23-11-4-3-5-12-23/h6-9,14,21H,2-5,10-13H2,1H3,(H,22,25,27)/p+1