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

Systemtic Name: 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium Formula: C12H14ClF3N3O2+ MolecularWeight: 324.70667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClF3N3O2/c1-17-2-4-18(5-3-17)10-7-9(13)8(12(14,15)16)6-11(10)19(20)21/h6-7H,2-5H2,1H3/p+1