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

Systemtic Name: N-(2-methoxyethylcarbamoyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethylcarbamoyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-methoxyethylamino)-oxomethyl]-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethylcarbamoyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethylcarbamoyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H24F3N4O4+ MolecularWeight: 417.40277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N4O4/c1-29-11-6-22-17(28)23-15(26)12-24-7-9-25(10-8-24)16(27)13-4-2-3-5-14(13)18(19,20)21/h2-5H,6-12H2,1H3,(H2,22,23,26,28)/p+1