4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioate dihydrochloride

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioate dihydrochloride Openeye Name: 4-hydroxy-4-methyl-2-(m-tolylmethyl)-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioate dihydrochloride CAS Name: 4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-3-[1-(1-piperazinyl)ethyl]-1-piperazin-4-iumcarbodithioate dihydrochloride IUPAC Name: 4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioate dihydrochloride Traditional Name: 4-hydroxy-4-methyl-2-(3-methylbenzyl)-3-(1-piperazinoethyl)piperazin-4-ium-1-carbodithioate dihydrochloride Formula: C20H34Cl2N4OS2 MolecularWeight: 481.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2C([N+](CCN2C(=S)[S-])(C)O)C(C)N3CCNCC3.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CC2C([N+](CCN2C(=S)[S-])(C)O)C(C)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C20H32N4OS2.2ClH/c1-15-5-4-6-17(13-15)14-18-19(16(2)22-9-7-21-8-10-22)24(3,25)12-11-23(18)20(26)27;;/h4-6,13,16,18-19,21,25H,7-12,14H2,1-3H3;2*1H