1-(1-tert-butyl-2-sulfanyl-pyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione

Systemtic Name: 1-(1-tert-butyl-2-sulfanyl-pyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione Openeye Name: 1-(1-tert-butyl-2-sulfanyl-pyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione CAS Name: 1-(1-tert-butyl-2-mercapto-3-pyridin-1-iumyl)-3-phenylpropane-1,3-dione IUPAC Name: 1-(1-tert-butyl-2-sulfanylpyridin-1-ium-3-yl)-3-phenylpropane-1,3-dione Traditional Name: 1-(1-tert-butyl-2-mercapto-pyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione Formula: C18H20NO2S+ MolecularWeight: 314.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=CC=CC(=C1S)C(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[N+]1=CC=CC(=C1S)C(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO2S/c1-18(2,3)19-11-7-10-14(17(19)22)16(21)12-15(20)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3/p+1