sodium 4-phenethylpiperazine-1-carbodithioate dihydrate

Systemtic Name: sodium 4-phenethylpiperazine-1-carbodithioate dihydrate Openeye Name: sodium 4-phenethylpiperazine-1-carbodithioate dihydrate CAS Name: sodium 4-phenethyl-1-piperazinecarbodithioate dihydrate IUPAC Name: sodium 4-phenethylpiperazine-1-carbodithioate dihydrate Traditional Name: sodium 4-phenethylpiperazine-1-carbodithioate dihydrate Formula: C13H21N2NaO2S2 MolecularWeight: 324.43781

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=S)[S-].O.O.[Na+]

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=S)[S-].O.O.[Na+]

InChI

InChI=1S/C13H18N2S2.Na.2H2O/c16-13(17)15-10-8-14(9-11-15)7-6-12-4-2-1-3-5-12;;;/h1-5H,6-11H2,(H,16,17);;2*1H2/q;+1;;/p-1