sodium 3-methyl-4-prop-2-enyl-piperazine-1-carbodithioate hydrate

Systemtic Name: sodium 3-methyl-4-prop-2-enyl-piperazine-1-carbodithioate hydrate Openeye Name: sodium 4-allyl-3-methyl-piperazine-1-carbodithioate hydrate CAS Name: sodium 3-methyl-4-prop-2-enyl-1-piperazinecarbodithioate hydrate IUPAC Name: sodium 3-methyl-4-prop-2-enylpiperazine-1-carbodithioate hydrate Traditional Name: sodium 4-allyl-3-methyl-piperazine-1-carbodithioate hydrate Formula: C9H17N2NaOS2 MolecularWeight: 256.36385

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC=C)C(=S)[S-].O.[Na+]

Isomeric SMILES

CC1CN(CCN1CC=C)C(=S)[S-].O.[Na+]

InChI

InChI=1S/C9H16N2S2.Na.H2O/c1-3-4-10-5-6-11(9(12)13)7-8(10)2;;/h3,8H,1,4-7H2,2H3,(H,12,13);;1H2/q;+1;/p-1