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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2S/c1-26-19-6-8-20(9-7-19)27-15-14-24-10-12-25(13-11-24)21(28)23-16-17-2-4-18(22)5-3-17/h2-9H,10-16H2,1H3,(H,23,28)/p+1