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

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-4-methyl-4-oxidanyl-piperazin-4-ium-1-carbodithioate Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioate CAS Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-4-methyl-1-piperazin-4-iumcarbodithioate IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 2-(3,5-dimethylbenzyl)-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioate Formula: C15H22N2OS2 MolecularWeight: 310.47798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2OS2/c1-11-6-12(2)8-13(7-11)9-14-10-17(3,18)5-4-16(14)15(19)20/h6-8,14,18H,4-5,9-10H2,1-3H3