tert-butyl 4-imidazol-1-ylcarbonylpiperazine-1-carboxylate; tert-butyl 4-(3-methylimidazol-3-ium-1-yl)carbonylpiperazine-1-carboxylate; iodide

Systemtic Name: tert-butyl 4-imidazol-1-ylcarbonylpiperazine-1-carboxylate; tert-butyl 4-(3-methylimidazol-3-ium-1-yl)carbonylpiperazine-1-carboxylate; iodide Openeye Name: tert-butyl 4-(imidazole-1-carbonyl)piperazine-1-carboxylate; tert-butyl 4-(3-methylimidazol-3-ium-1-carbonyl)piperazine-1-carboxylate; iodide CAS Name: 4-[1-imidazolyl(oxo)methyl]-1-piperazinecarboxylic acid tert-butyl ester; 4-[(3-methyl-1-imidazol-3-iumyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester; iodide IUPAC Name: tert-butyl 4-(imidazole-1-carbonyl)piperazine-1-carboxylate; tert-butyl 4-(3-methylimidazol-3-ium-1-carbonyl)piperazine-1-carboxylate; iodide Traditional Name: 4-(imidazole-1-carbonyl)piperazine-1-carboxylic acid tert-butyl ester; 4-(3-methylimidazol-3-ium-1-carbonyl)piperazine-1-carboxylic acid tert-butyl ester; iodide Formula: C27H43IN8O6 MolecularWeight: 702.58479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2C=CN=C2.CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2C=C[N+](=C2)C.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2C=CN=C2.CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2C=C[N+](=C2)C.[I-]

InChI

InChI=1S/C14H23N4O3.C13H20N4O3.HI/c1-14(2,3)21-13(20)17-9-7-16(8-10-17)12(19)18-6-5-15(4)11-18;1-13(2,3)20-12(19)16-8-6-15(7-9-16)11(18)17-5-4-14-10-17;/h5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3;1H/q+1;;/p-1