2-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxy-4-methyl-2-oxidanyl-piperazine-1-carbodithioate hydrochloride

Systemtic Name: 2-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxy-4-methyl-2-oxidanyl-piperazine-1-carbodithioate hydrochloride Openeye Name: 2-hydroxy-2-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxy-4-methyl-piperazine-1-carbodithioate hydrochloride CAS Name: 2-hydroxy-2-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxy-4-methyl-1-piperazinecarbodithioate hydrochloride IUPAC Name: 2-hydroxy-2-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxy-4-methylpiperazine-1-carbodithioate hydrochloride Traditional Name: 2-hydroxy-3-methoxy-4-methyl-2-(3-methylolbenzyl)piperazine-1-carbodithioate hydrochloride Formula: C15H22ClN2O3S2- MolecularWeight: 377.92978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1OC)(CC2=CC(=CC=C2)CO)O)C(=S)[S-].Cl

Isomeric SMILES

CN1CCN(C(C1OC)(CC2=CC(=CC=C2)CO)O)C(=S)[S-].Cl

InChI

InChI=1S/C15H22N2O3S2.ClH/c1-16-6-7-17(14(21)22)15(19,13(16)20-2)9-11-4-3-5-12(8-11)10-18;/h3-5,8,13,18-19H,6-7,9-10H2,1-2H3,(H,21,22);1H/p-1