N-[(4-fluorophenyl)methyl]-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Formula: C17H20FN4S+ MolecularWeight: 331.430903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4S/c18-15-3-1-14(2-4-15)13-20-17(23)22-11-9-21(10-12-22)16-5-7-19-8-6-16/h1-8H,9-13H2,(H,20,23)/p+1