1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C18H19F3N3O2+ MolecularWeight: 366.35757

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O2/c19-18(20,21)15-6-7-16(17(12-15)24(25)26)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1