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

Systemtic Name: 1-(2-ethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-ethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-ethoxyphenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-ethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-o-phenetyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

InChI

InChI=1S/C20H26N4O4/c1-2-28-17-9-5-4-8-16(17)24-19(26)15(18(25)22-20(24)27)14-21-10-13-23-11-6-3-7-12-23/h4-5,8-9,14,21H,2-3,6-7,10-13H2,1H3,(H,22,25,27)/p+1