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

Systemtic Name: 5,5-diethyl-1-methyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5,5-diethyl-1-methyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5,5-diethyl-1-methyl-3-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5,5-diethyl-1-methyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5,5-diethyl-1-methyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]barbituric acid Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O3/c1-4-23(5-2)20(28)24(3)22(30)27(21(23)29)14-10-9-13-25-15-17-26(18-16-25)19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-18H2,1-3H3/p+1