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

Systemtic Name: 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-bromonicotinoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C20H24BrN4O2+ MolecularWeight: 432.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C20H23BrN4O2/c1-14-4-3-5-18(15(14)2)23-19(26)13-24-6-8-25(9-7-24)20(27)16-10-17(21)12-22-11-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,26)/p+1