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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H21FN3S2+ MolecularWeight: 350.497143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3S2/c18-16-3-1-14(2-4-16)11-19-17(22)21-8-6-20(7-9-21)12-15-5-10-23-13-15/h1-5,10,13H,6-9,11-12H2,(H,19,22)/p+1