4-[(3-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-fluorophenyl)methyl]-N-(3-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-fluorobenzyl)-N-(3-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H20FN4O2S+ MolecularWeight: 375.440403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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