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

Systemtic Name: 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-bromonicotinoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C19H22BrN4O2+ MolecularWeight: 418.30758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O2/c1-14-2-4-17(5-3-14)22-18(25)13-23-6-8-24(9-7-23)19(26)15-10-16(20)12-21-11-15/h2-5,10-12H,6-9,13H2,1H3,(H,22,25)/p+1