N-pentan-3-yl-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-pentan-3-yl-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-ethylpropyl)-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-pentan-3-ylacetamide IUPAC Name: N-pentan-3-yl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-ethylpropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H27F3N3O2+ MolecularWeight: 386.43179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26F3N3O2/c1-3-14(4-2)23-17(26)13-24-9-11-25(12-10-24)18(27)15-7-5-6-8-16(15)19(20,21)22/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,26)/p+1