N-(4-ethanoylphenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C21H24F3N4O2+ MolecularWeight: 421.43607

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O2/c1-15(29)16-2-5-18(6-3-16)26-20(30)8-9-27-10-12-28(13-11-27)19-7-4-17(14-25-19)21(22,23)24/h2-7,14H,8-13H2,1H3,(H,26,30)/p+1