sodium 3-methyl-4-propan-2-yl-piperazine-1-carbodithioate hydrate

Systemtic Name: sodium 3-methyl-4-propan-2-yl-piperazine-1-carbodithioate hydrate Openeye Name: sodium 4-isopropyl-3-methyl-piperazine-1-carbodithioate hydrate CAS Name: sodium 3-methyl-4-propan-2-yl-1-piperazinecarbodithioate hydrate IUPAC Name: sodium 3-methyl-4-propan-2-ylpiperazine-1-carbodithioate hydrate Traditional Name: sodium 4-isopropyl-3-methyl-piperazine-1-carbodithioate hydrate Formula: C9H19N2NaOS2 MolecularWeight: 258.37973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)C)C(=S)[S-].O.[Na+]

Isomeric SMILES

CC1CN(CCN1C(C)C)C(=S)[S-].O.[Na+]

InChI

InChI=1S/C9H18N2S2.Na.H2O/c1-7(2)11-5-4-10(9(12)13)6-8(11)3;;/h7-8H,4-6H2,1-3H3,(H,12,13);;1H2/q;+1;/p-1