2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(5-bromonicotinoyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C16H24BrN4O2+ MolecularWeight: 384.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H23BrN4O2/c1-16(2,3)19-14(22)11-20-4-6-21(7-5-20)15(23)12-8-13(17)10-18-9-12/h8-10H,4-7,11H2,1-3H3,(H,19,22)/p+1