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

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-2-propan-2-yl-piperazin-4-ium-1-carbodithioate hydrochloride Openeye Name: 4-hydroxy-2-isopropyl-4-methyl-2-(m-tolylmethyl)piperazin-4-ium-1-carbodithioate hydrochloride CAS Name: 4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-2-propan-2-yl-1-piperazin-4-iumcarbodithioate hydrochloride IUPAC Name: 4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazin-4-ium-1-carbodithioate hydrochloride Traditional Name: 4-hydroxy-2-isopropyl-4-methyl-2-(3-methylbenzyl)piperazin-4-ium-1-carbodithioate hydrochloride Formula: C17H27ClN2OS2 MolecularWeight: 374.99208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2(C[N+](CCN2C(=S)[S-])(C)O)C(C)C.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CC2(C[N+](CCN2C(=S)[S-])(C)O)C(C)C.Cl

InChI

InChI=1S/C17H26N2OS2.ClH/c1-13(2)17(11-15-7-5-6-14(3)10-15)12-19(4,20)9-8-18(17)16(21)22;/h5-7,10,13,20H,8-9,11-12H2,1-4H3;1H