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

Systemtic Name: N-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O2S/c1-25-16-6-8-17(9-7-16)26-15-14-23-10-12-24(13-11-23)20(27)22-19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3,(H,22,27)/p+1