2-[4-(2-methylfuran-3-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-methylfuran-3-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2-methylfuran-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(2-methyl-3-furanyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-methylfuran-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2-methyl-3-furoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C19H21F3N3O3+ MolecularWeight: 396.38355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3/c1-13-14(6-11-28-13)18(27)25-9-7-24(8-10-25)12-17(26)23-16-5-3-2-4-15(16)19(20,21)22/h2-6,11H,7-10,12H2,1H3,(H,23,26)/p+1