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

Systemtic Name: 5-decyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-decyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-decyl-5-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-decyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-decyl-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]barbituric acid Formula: C20H37N4O4+ MolecularWeight: 397.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)CCO

Isomeric SMILES

CCCCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)CCO

InChI

InChI=1S/C20H36N4O4/c1-2-3-4-5-6-7-8-9-10-20(17(26)22-19(28)23-18(20)27)24(15-16-25)13-11-21-12-14-24/h21,25H,2-16H2,1H3,(H-,22,23,26,27,28)/p+1