N-tert-butyl-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2-pyrimidylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C16H26N5O2S+ MolecularWeight: 352.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H25N5O2S/c1-16(2,3)19-13(22)11-20-7-9-21(10-8-20)14(23)12-24-15-17-5-4-6-18-15/h4-6H,7-12H2,1-3H3,(H,19,22)/p+1