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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(p-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(p-tolyl)piperazin-4-ium-1-carbothioamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-16-5-7-19(8-6-16)23-22(28)25-11-9-24(10-12-25)15-18-14-21(27-4)20(26-3)13-17(18)2/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,28)/p+1