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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C14H21ClN3O2S+ MolecularWeight: 330.85344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C14H20ClN3O2S/c1-17-4-6-18(7-5-17)14(21)16-11-9-12(19-2)10(15)8-13(11)20-3/h8-9H,4-7H2,1-3H3,(H,16,21)/p+1