4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioic acid

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methyl]-4-oxidanyl-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioic acid Openeye Name: 4-hydroxy-4-methyl-2-(m-tolylmethyl)-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioic acid CAS Name: 4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-3-[1-(1-piperazinyl)ethyl]-1-piperazin-4-iumcarbodithioic acid IUPAC Name: 4-hydroxy-4-methyl-2-[(3-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)piperazin-4-ium-1-carbodithioic acid Traditional Name: 4-hydroxy-4-methyl-2-(3-methylbenzyl)-3-(1-piperazinoethyl)piperazin-4-ium-1-carbodithioic acid Formula: C20H33N4OS2+ MolecularWeight: 409.63222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4OS2/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/p+1