1-(4-fluorophenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(5-nitro-2-thienyl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(5-nitro-2-thiophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(5-nitro-2-thienyl)methyl]piperazin-4-ium Formula: C15H17FN3O2S+ MolecularWeight: 322.377783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16FN3O2S/c16-12-1-3-13(4-2-12)18-9-7-17(8-10-18)11-14-5-6-15(22-14)19(20)21/h1-6H,7-11H2/p+1