sodium 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioate

Systemtic Name: sodium 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioate Openeye Name: sodium 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioate CAS Name: sodium 4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinecarbodithioate IUPAC Name: sodium 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioate Traditional Name: sodium 4-(3,4,5-trimethoxybenzyl)piperazine-1-carbodithioate Formula: C15H21N2NaO3S2 MolecularWeight: 364.45861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=S)[S-].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=S)[S-].[Na+]

InChI

InChI=1S/C15H22N2O3S2.Na/c1-18-12-8-11(9-13(19-2)14(12)20-3)10-16-4-6-17(7-5-16)15(21)22;/h8-9H,4-7,10H2,1-3H3,(H,21,22);/q;+1/p-1