[2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C12H24N3OS2+ MolecularWeight: 290.46846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC(=S)N1CC[NH+](CC1)C

Isomeric SMILES

CC(C)(C)NC(=O)CSC(=S)N1CC[NH+](CC1)C

InChI

InChI=1S/C12H23N3OS2/c1-12(2,3)13-10(16)9-18-11(17)15-7-5-14(4)6-8-15/h5-9H2,1-4H3,(H,13,16)/p+1