[(2R)-1-(5-bromanyl-2-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [(2R)-1-(5-bromanyl-2-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [(1R)-2-(5-bromo-2-hydroxy-phenyl)-1-methyl-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [(2R)-1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [(1R)-2-(5-bromo-2-hydroxy-phenyl)-2-keto-1-methyl-ethyl] ester Formula: C15H20BrN2O2S2+ MolecularWeight: 404.3655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

C[C@H](C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H19BrN2O2S2/c1-10(14(20)12-9-11(16)3-4-13(12)19)22-15(21)18-7-5-17(2)6-8-18/h3-4,9-10,19H,5-8H2,1-2H3/p+1/t10-/m1/s1