2-[(3-methylphenyl)methyl]-4-oxidanyl-2-propan-2-yl-morpholin-4-ium-4-carbodithioate

Systemtic Name: 2-[(3-methylphenyl)methyl]-4-oxidanyl-2-propan-2-yl-morpholin-4-ium-4-carbodithioate Openeye Name: 4-hydroxy-2-isopropyl-2-(m-tolylmethyl)morpholin-4-ium-4-carbodithioate CAS Name: 4-hydroxy-2-[(3-methylphenyl)methyl]-2-propan-2-yl-4-morpholin-4-iumcarbodithioate IUPAC Name: 4-hydroxy-2-[(3-methylphenyl)methyl]-2-propan-2-ylmorpholin-4-ium-4-carbodithioate Traditional Name: 4-hydroxy-2-isopropyl-2-(3-methylbenzyl)morpholin-4-ium-4-carbodithioate Formula: C16H23NO2S2 MolecularWeight: 325.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2(C[N+](CCO2)(C(=S)[S-])O)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2(C[N+](CCO2)(C(=S)[S-])O)C(C)C

InChI

InChI=1S/C16H23NO2S2/c1-12(2)16(10-14-6-4-5-13(3)9-14)11-17(18,15(20)21)7-8-19-16/h4-6,9,12,18H,7-8,10-11H2,1-3H3