N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-propargyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H19F3N3O2+ MolecularWeight: 354.34687

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2/c1-2-7-21-15(24)12-22-8-10-23(11-9-22)16(25)13-5-3-4-6-14(13)17(18,19)20/h1,3-6H,7-12H2,(H,21,24)/p+1