tert-butyl 3-nitro-4-pyrimidin-4-yl-piperazin-4-ium-1-carboxylate chloride

Systemtic Name: tert-butyl 3-nitro-4-pyrimidin-4-yl-piperazin-4-ium-1-carboxylate chloride Openeye Name: tert-butyl 3-nitro-4-pyrimidin-4-yl-piperazin-4-ium-1-carboxylate chloride CAS Name: 3-nitro-4-(4-pyrimidinyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester chloride IUPAC Name: tert-butyl 3-nitro-4-pyrimidin-4-ylpiperazin-4-ium-1-carboxylate chloride Traditional Name: 3-nitro-4-(4-pyrimidyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester chloride Formula: C13H20ClN5O4 MolecularWeight: 345.782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](C(C1)[N+](=O)[O-])C2=NC=NC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](C(C1)[N+](=O)[O-])C2=NC=NC=C2.[Cl-]

InChI

InChI=1S/C13H19N5O4.ClH/c1-13(2,3)22-12(19)16-6-7-17(11(8-16)18(20)21)10-4-5-14-9-15-10;/h4-5,9,11H,6-8H2,1-3H3;1H