4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(3,4-dimethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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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=C3C)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC)C

InChI

InChI=1S/C23H31N3O2S/c1-16-6-7-20(12-17(16)2)24-23(29)26-10-8-25(9-11-26)15-19-14-22(28-5)21(27-4)13-18(19)3/h6-7,12-14H,8-11,15H2,1-5H3,(H,24,29)/p+1