2-[(2R)-3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide Openeye Name: N-allyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumyl]-N-prop-2-enyl-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide Traditional Name: N-allyl-2-[(2R)-3-keto-1-[3-(trifluoromethyl)benzyl]piperazin-1-ium-2-yl]-N-propargyl-acetamide Formula: C20H23F3N3O2+ MolecularWeight: 394.41073

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C=CCN(CC#C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2/c1-3-9-25(10-4-2)18(27)13-17-19(28)24-8-11-26(17)14-15-6-5-7-16(12-15)20(21,22)23/h1,4-7,12,17H,2,8-11,13-14H2,(H,24,28)/p+1/t17-/m1/s1