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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)OC)OC

InChI

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