N-(2-methylpropyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24F3N4O3+ MolecularWeight: 389.39267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H23F3N4O3/c1-12(2)10-21-16(25)11-22-5-7-23(8-6-22)14-4-3-13(17(18,19)20)9-15(14)24(26)27/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,25)/p+1