1,4-diazepane-1-carbodithioic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 1,4-diazepane-1-carbodithioic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1,4-diazepane-1-carbodithioic acid; 2-(trimethylammonio)acetate CAS Name: 1,4-diazepane-1-carbodithioic acid; 2-(trimethylammonio)acetate IUPAC Name: 1,4-diazepane-1-carbodithioic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 1,4-diazepane-1-carbodithioic acid; 2-(trimethylammonio)acetate Formula: C11H23N3O2S2 MolecularWeight: 293.44922

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C1CNCCN(C1)C(=S)S

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C1CNCCN(C1)C(=S)S

InChI

InChI=1S/C6H12N2S2.C5H11NO2/c9-6(10)8-4-1-2-7-3-5-8;1-6(2,3)4-5(7)8/h7H,1-5H2,(H,9,10);4H2,1-3H3