2-[(2,4-dimethoxy-6-oxidanyl-phenyl)methyl]piperazine-1-carbodithioate hydrochloride

Systemtic Name: 2-[(2,4-dimethoxy-6-oxidanyl-phenyl)methyl]piperazine-1-carbodithioate hydrochloride Openeye Name: 2-[(2-hydroxy-4,6-dimethoxy-phenyl)methyl]piperazine-1-carbodithioate hydrochloride CAS Name: 2-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]-1-piperazinecarbodithioate hydrochloride IUPAC Name: 2-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazine-1-carbodithioate hydrochloride Traditional Name: 2-(2-hydroxy-4,6-dimethoxy-benzyl)piperazine-1-carbodithioate hydrochloride Formula: C14H20ClN2O3S2- MolecularWeight: 363.9032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CC2CNCCN2C(=S)[S-])O.Cl

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CC2CNCCN2C(=S)[S-])O.Cl

InChI

InChI=1S/C14H20N2O3S2.ClH/c1-18-10-6-12(17)11(13(7-10)19-2)5-9-8-15-3-4-16(9)14(20)21;/h6-7,9,15,17H,3-5,8H2,1-2H3,(H,20,21);1H/p-1