[2-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-[2-(methylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-[2-(methylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[4-[2-keto-2-(methylamino)ethyl]piperazin-4-ium-1-yl]ethyl] ester Formula: C14H25N4O2S2+ MolecularWeight: 345.5039

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C14H24N4O2S2/c1-15-12(19)10-16-6-8-17(9-7-16)13(20)11-22-14(21)18-4-2-3-5-18/h2-11H2,1H3,(H,15,19)/p+1