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

Systemtic Name: 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(5-bromonicotinoyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C14H20BrN4O2+ MolecularWeight: 356.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN4O2/c1-17(2)13(20)10-18-3-5-19(6-4-18)14(21)11-7-12(15)9-16-8-11/h7-9H,3-6,10H2,1-2H3/p+1