[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C13H20N3O2S2+ MolecularWeight: 314.4468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NCC2=CC=CO2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C13H19N3O2S2/c1-15-4-6-16(7-5-15)13(19)20-10-12(17)14-9-11-3-2-8-18-11/h2-3,8H,4-7,9-10H2,1H3,(H,14,17)/p+1