3-tert-butyl-4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-piperazin-4-ium-1-carbodithioate hydrochloride

Systemtic Name: 3-tert-butyl-4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-piperazin-4-ium-1-carbodithioate hydrochloride Openeye Name: 3-tert-butyl-4-hydroxy-4-methyl-2-(m-tolylmethyl)piperazin-4-ium-1-carbodithioate hydrochloride CAS Name: 3-tert-butyl-4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbodithioate hydrochloride IUPAC Name: 3-tert-butyl-4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbodithioate hydrochloride Traditional Name: 3-tert-butyl-4-hydroxy-4-methyl-2-(3-methylbenzyl)piperazin-4-ium-1-carbodithioate hydrochloride Formula: C18H29ClN2OS2 MolecularWeight: 389.01866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2C([N+](CCN2C(=S)[S-])(C)O)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CC2C([N+](CCN2C(=S)[S-])(C)O)C(C)(C)C.Cl

InChI

InChI=1S/C18H28N2OS2.ClH/c1-13-7-6-8-14(11-13)12-15-16(18(2,3)4)20(5,21)10-9-19(15)17(22)23;/h6-8,11,15-16,21H,9-10,12H2,1-5H3;1H