4-methyl-4-oxidanyl-2-[(2,3,5,6-tetramethylphenyl)methyl]piperazin-4-ium-1-carbodithioic acid

Systemtic Name: 4-methyl-4-oxidanyl-2-[(2,3,5,6-tetramethylphenyl)methyl]piperazin-4-ium-1-carbodithioic acid Openeye Name: 4-hydroxy-4-methyl-2-[(2,3,5,6-tetramethylphenyl)methyl]piperazin-4-ium-1-carbodithioic acid CAS Name: 4-hydroxy-4-methyl-2-[(2,3,5,6-tetramethylphenyl)methyl]-1-piperazin-4-iumcarbodithioic acid IUPAC Name: 4-hydroxy-4-methyl-2-[(2,3,5,6-tetramethylphenyl)methyl]piperazin-4-ium-1-carbodithioic acid Traditional Name: 4-hydroxy-4-methyl-2-(2,3,5,6-tetramethylbenzyl)piperazin-4-ium-1-carbodithioic acid Formula: C17H27N2OS2+ MolecularWeight: 339.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)CC2C[N+](CCN2C(=S)S)(C)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)CC2C[N+](CCN2C(=S)S)(C)O)C)C

InChI

InChI=1S/C17H26N2OS2/c1-11-8-12(2)14(4)16(13(11)3)9-15-10-19(5,20)7-6-18(15)17(21)22/h8,15,20H,6-7,9-10H2,1-5H3/p+1