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

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26F3N4O3+ MolecularWeight: 403.41925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3N4O3/c1-2-3-4-7-22-17(26)13-23-8-10-24(11-9-23)15-6-5-14(18(19,20)21)12-16(15)25(27)28/h5-6,12H,2-4,7-11,13H2,1H3,(H,22,26)/p+1