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

Systemtic Name: 5-[1-(4-aminophenyl)piperazin-1-ium-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-aminophenyl)piperazin-1-ium-1-yl]-5-octyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-aminophenyl)-1-piperazin-1-iumyl]-5-octyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-aminophenyl)piperazin-1-ium-1-yl]-5-octyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(4-aminophenyl)piperazin-1-ium-1-yl]-5-octyl-barbituric acid Formula: C22H34N5O3+ MolecularWeight: 416.53706

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3/c1-2-3-4-5-6-7-12-22(19(28)25-21(30)26-20(22)29)27(15-13-24-14-16-27)18-10-8-17(23)9-11-18/h8-11,24H,2-7,12-16,23H2,1H3,(H-,25,26,28,29,30)/p+1