2-[4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(6-keto-1-methyl-pyridazine-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C19H21F3N5O3+ MolecularWeight: 424.39695

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N5O3/c1-25-17(29)7-6-15(24-25)18(30)27-10-8-26(9-11-27)12-16(28)23-14-5-3-2-4-13(14)19(20,21)22/h2-7H,8-12H2,1H3,(H,23,28)/p+1