4-[(2-fluorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-fluorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-fluorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-fluorophenyl)methyl]-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-fluorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-fluorobenzyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H20FN4O2S+ MolecularWeight: 375.440403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN4O2S/c19-17-4-2-1-3-14(17)13-21-9-11-22(12-10-21)18(26)20-15-5-7-16(8-6-15)23(24)25/h1-8H,9-13H2,(H,20,26)/p+1