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

Systemtic Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-methyl-4-oxidanyl-piperazin-4-ium-1-carbodithioic acid Openeye Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioic acid CAS Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-methyl-1-piperazin-4-iumcarbodithioic acid IUPAC Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-methylpiperazin-4-ium-1-carbodithioic acid Traditional Name: 2-(3,5-ditert-butylbenzyl)-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioic acid Formula: C21H35N2OS2+ MolecularWeight: 395.6454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC2C[N+](CCN2C(=S)S)(C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC2C[N+](CCN2C(=S)S)(C)O)C(C)(C)C

InChI

InChI=1S/C21H34N2OS2/c1-20(2,3)16-10-15(11-17(13-16)21(4,5)6)12-18-14-23(7,24)9-8-22(18)19(25)26/h10-11,13,18,24H,8-9,12,14H2,1-7H3/p+1