sodium 4-(naphthalen-1-ylmethyl)piperazine-1-carbodithioate dihydrate

Systemtic Name: sodium 4-(naphthalen-1-ylmethyl)piperazine-1-carbodithioate dihydrate Openeye Name: sodium 4-(1-naphthylmethyl)piperazine-1-carbodithioate dihydrate CAS Name: sodium 4-(1-naphthalenylmethyl)-1-piperazinecarbodithioate dihydrate IUPAC Name: sodium 4-(naphthalen-1-ylmethyl)piperazine-1-carbodithioate dihydrate Traditional Name: sodium 4-(1-naphthylmethyl)piperazine-1-carbodithioate dihydrate Formula: C16H21N2NaO2S2 MolecularWeight: 360.46991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)[S-].O.O.[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)[S-].O.O.[Na+]

InChI

InChI=1S/C16H18N2S2.Na.2H2O/c19-16(20)18-10-8-17(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14;;;/h1-7H,8-12H2,(H,19,20);;2*1H2/q;+1;;/p-1