2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C16H22F3N4O3+ MolecularWeight: 375.36609

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H21F3N4O3/c1-2-5-20-15(24)11-21-6-8-22(9-7-21)13-4-3-12(16(17,18)19)10-14(13)23(25)26/h3-4,10H,2,5-9,11H2,1H3,(H,20,24)/p+1