4-[3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide Openeye Name: 4-[3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide Traditional Name: 4-[3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanoylamino]benzamide Formula: C20H23F3N5O2+ MolecularWeight: 422.42413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N5O2/c21-20(22,23)15-3-6-17(25-13-15)28-11-9-27(10-12-28)8-7-18(29)26-16-4-1-14(2-5-16)19(24)30/h1-6,13H,7-12H2,(H2,24,30)(H,26,29)/p+1