1-[(5-nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(5-nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(5-nitro-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(5-nitro-2-thiophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(5-nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[(5-nitro-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C16H17F3N3O2S+ MolecularWeight: 372.38529

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2S/c17-16(18,19)12-2-1-3-13(10-12)21-8-6-20(7-9-21)11-14-4-5-15(25-14)22(23)24/h1-5,10H,6-9,11H2/p+1