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

Systemtic Name: 2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol Formula: C13H16ClF3N3O3+ MolecularWeight: 354.73265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClF3N3O3/c14-10-8-11(19-3-1-18(2-4-19)5-6-21)12(20(22)23)7-9(10)13(15,16)17/h7-8,21H,1-6H2/p+1