3,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride

Systemtic Name: 3,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride Openeye Name: 3,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride CAS Name: 3,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride IUPAC Name: 3,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride Traditional Name: 3,5-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride Formula: C13H17ClF3N3O2 MolecularWeight: 339.74119

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-].Cl

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16F3N3O2.ClH/c1-8-6-18(7-9(2)17-8)11-4-3-10(13(14,15)16)5-12(11)19(20)21;/h3-5,8-9,17H,6-7H2,1-2H3;1H