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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-12-9-14(20-3)15(21-4)10-13(12)11-18-5-7-19(8-6-18)16(22)17-2/h9-10H,5-8,11H2,1-4H3,(H,17,22)/p+1