1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(3-hydroxyphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(3-hydroxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(3-hydroxyphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-5-(3-hydroxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(3-hydroxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(3-hydroxyphenyl)barbituric acid Formula: C16H21N4O5+ MolecularWeight: 349.36174

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCO)N2C(=O)C(C(=O)NC2=O)C3=CC(=CC=C3)O

Isomeric SMILES

C1C[N+](CCN1)(CCO)N2C(=O)C(C(=O)NC2=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C16H20N4O5/c21-9-8-20(6-4-17-5-7-20)19-15(24)13(14(23)18-16(19)25)11-2-1-3-12(22)10-11/h1-3,10,13,17,21H,4-9H2,(H-,18,22,23,25)/p+1