N-(3-ethylpent-1-yn-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C20H27F3N3O+ MolecularWeight: 382.44309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26F3N3O/c1-4-19(5-2,6-3)24-18(27)15-25-10-12-26(13-11-25)17-9-7-8-16(14-17)20(21,22)23/h1,7-9,14H,5-6,10-13,15H2,2-3H3,(H,24,27)/p+1