2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C13H19BrF3N4O2+ MolecularWeight: 400.21477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC[NH+]2CCOCC2)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC[NH+]2CCOCC2)C(F)(F)F)Br

InChI

InChI=1S/C13H18BrF3N4O2/c1-9-11(14)12(13(15,16)17)19-21(9)8-10(22)18-2-3-20-4-6-23-7-5-20/h2-8H2,1H3,(H,18,22)/p+1