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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)[N+]3(CCNCC3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)[N+]3(CCNCC3)CCO

InChI

InChI=1S/C17H22N4O4/c1-12-2-4-13(5-3-12)17(14(23)19-16(25)20-15(17)24)21(10-11-22)8-6-18-7-9-21/h2-5,18,22H,6-11H2,1H3,(H-,19,20,23,24,25)/p+1