2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C16H21ClF3N4O3+ MolecularWeight: 409.81115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClF3N4O3/c1-2-3-21-15(25)10-22-4-6-23(7-5-22)13-9-12(17)11(16(18,19)20)8-14(13)24(26)27/h8-9H,2-7,10H2,1H3,(H,21,25)/p+1