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

Systemtic Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-benzyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-5-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-benzyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-benzyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]barbituric acid Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCO)C2(C(=O)NC(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[N+](CCN1)(CCO)C2(C(=O)NC(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O4/c22-11-10-21(8-6-18-7-9-21)17(12-13-4-2-1-3-5-13)14(23)19-16(25)20-15(17)24/h1-5,18,22H,6-12H2,(H-,19,20,23,24,25)/p+1