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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-4-oxidanyl-piperazin-4-ium-1-carbodithioate hydrochloride Openeye Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioate hydrochloride CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-4-methyl-1-piperazin-4-iumcarbodithioate hydrochloride IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-4-methylpiperazin-4-ium-1-carbodithioate hydrochloride Traditional Name: 2-(3,5-dimethoxybenzyl)-4-hydroxy-4-methyl-piperazin-4-ium-1-carbodithioate hydrochloride Formula: C15H23ClN2O3S2 MolecularWeight: 378.93772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(C(C1)CC2=CC(=CC(=C2)OC)OC)C(=S)[S-])O.Cl

Isomeric SMILES

C[N+]1(CCN(C(C1)CC2=CC(=CC(=C2)OC)OC)C(=S)[S-])O.Cl

InChI

InChI=1S/C15H22N2O3S2.ClH/c1-17(18)5-4-16(15(21)22)12(10-17)6-11-7-13(19-2)9-14(8-11)20-3;/h7-9,12,18H,4-6,10H2,1-3H3;1H