4-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-(2-fluorophenyl)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)OC)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2S/c1-25-16-7-8-19(26-2)15(13-16)14-23-9-11-24(12-10-23)20(27)22-18-6-4-3-5-17(18)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)/p+1