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

Systemtic Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-methyl-4-oxidanyl-piperazin-4-ium-1-carbodithioate hydrochloride Openeye Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioate hydrochloride CAS Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-methyl-1-piperazin-4-iumcarbodithioate hydrochloride IUPAC Name: 2-[(3,5-ditert-butylphenyl)methyl]-4-hydroxy-4-methylpiperazin-4-ium-1-carbodithioate hydrochloride Traditional Name: 2-(3,5-ditert-butylbenzyl)-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioate hydrochloride Formula: C21H35ClN2OS2 MolecularWeight: 431.0984

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2OS2.ClH/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;1H