N-[2-(3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide Openeye Name: N-[2-(3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide CAS Name: N-[2-(3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-(3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide Traditional Name: N-[2-(3-keto-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazino]acetamide Formula: C22H24F3N4O3+ MolecularWeight: 449.44617

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCCC2[N+](=O)C3=CC=CC=C3O2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC(=O)NCCC2[N+](=O)C3=CC=CC=C3O2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H23F3N4O3/c23-22(24,25)16-4-3-5-17(14-16)28-12-10-27(11-13-28)15-20(30)26-9-8-21-29(31)18-6-1-2-7-19(18)32-21/h1-7,14,21H,8-13,15H2/p+1