5,5-diethyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5,5-diethyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5,5-diethyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5,5-diethyl-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5,5-diethyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5,5-diethyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]barbituric acid Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)CCCC[NH+]2CCN(CC2)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)CCCC[NH+]2CCN(CC2)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H32N4O3/c1-3-22(4-2)19(27)23-21(29)26(20(22)28)13-9-8-12-24-14-16-25(17-15-24)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3,(H,23,27,29)/p+1