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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2,5-dimethoxyphenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2,5-dimethoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=O

InChI

InChI=1S/C20H26N4O5/c1-28-14-6-7-17(29-2)16(12-14)24-19(26)15(18(25)22-20(24)27)13-21-8-11-23-9-4-3-5-10-23/h6-7,12-13,21H,3-5,8-11H2,1-2H3,(H,22,25,27)/p+1