N-(2-methylpropyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C16H24F3N4O+ MolecularWeight: 345.38317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23F3N4O/c1-12(2)9-21-15(24)11-22-5-7-23(8-6-22)14-4-3-13(10-20-14)16(17,18)19/h3-4,10,12H,5-9,11H2,1-2H3,(H,21,24)/p+1