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

Systemtic Name: N-(propan-2-ylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[oxo-(propan-2-ylamino)methyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(propan-2-ylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(isopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24F3N4O2+ MolecularWeight: 373.39327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23F3N4O2/c1-12(2)21-16(26)22-15(25)11-23-6-8-24(9-7-23)14-5-3-4-13(10-14)17(18,19)20/h3-5,10,12H,6-9,11H2,1-2H3,(H2,21,22,25,26)/p+1