4-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-veratryl-piperazin-4-ium-1-carbothioamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)F

InChI

InChI=1S/C21H26FN3O2S/c1-15-4-6-17(13-18(15)22)23-21(28)25-10-8-24(9-11-25)14-16-5-7-19(26-2)20(12-16)27-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,28)/p+1