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

Systemtic Name: 5-[1-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-acetylphenyl)piperazin-1-ium-1-yl]-5-octyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-acetylphenyl)-1-piperazin-1-iumyl]-5-octyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-acetylphenyl)piperazin-1-ium-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(4-acetylphenyl)piperazin-1-ium-1-yl]-5-octyl-barbituric acid Formula: C24H35N4O4+ MolecularWeight: 443.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C24H34N4O4/c1-3-4-5-6-7-8-13-24(21(30)26-23(32)27-22(24)31)28(16-14-25-15-17-28)20-11-9-19(10-12-20)18(2)29/h9-12,25H,3-8,13-17H2,1-2H3,(H-,26,27,30,31,32)/p+1