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

Systemtic Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-octyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-5-octyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-octyl-barbituric acid Formula: C18H33N4O4+ MolecularWeight: 369.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)CCO

Isomeric SMILES

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)CCO

InChI

InChI=1S/C18H32N4O4/c1-2-3-4-5-6-7-8-18(15(24)20-17(26)21-16(18)25)22(13-14-23)11-9-19-10-12-22/h19,23H,2-14H2,1H3,(H-,20,21,24,25,26)/p+1