tert-butyl 1-(2-chloranylpyrimidin-4-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(2-chloranylpyrimidin-4-yl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(2-chloropyrimidin-4-yl)piperazin-1-ium-1-carboxylate CAS Name: 1-(2-chloro-4-pyrimidinyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-chloropyrimidin-4-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(2-chloropyrimidin-4-yl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C13H20ClN4O2+ MolecularWeight: 299.7765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=NC(=NC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=NC(=NC=C2)Cl

InChI

InChI=1S/C13H20ClN4O2/c1-13(2,3)20-12(19)18(8-6-15-7-9-18)10-4-5-16-11(14)17-10/h4-5,15H,6-9H2,1-3H3/q+1