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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

InChI

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