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

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H22F3N4O3+ MolecularWeight: 399.38749

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H21F3N4O3/c19-18(20,21)14-4-2-1-3-13(14)16(27)25-9-7-24(8-10-25)11-15(26)23-17(28)22-12-5-6-12/h1-4,12H,5-11H2,(H2,22,23,26,28)/p+1