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

Systemtic Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)barbituric acid Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCO)C2(C(=O)NC(=O)NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(CCO)C2(C(=O)NC(=O)NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4/c27-15-14-26(12-10-23-11-13-26)22(19(28)24-21(30)25-20(22)29)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,23,27H,10-15H2,(H-,24,25,28,29,30)/p+1