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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-14(2)12-20-19(25)22-8-6-21(7-9-22)13-16-11-18(24-5)17(23-4)10-15(16)3/h10-11H,1,6-9,12-13H2,2-5H3,(H,20,25)/p+1