3,3-dimethyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-(1-oxidopyridin-1-ium-2-yl)sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[(1-oxido-2-pyridin-1-iumyl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-(1-oxidopyridin-1-ium-2-yl)sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[(1-oxidopyridin-1-ium-2-yl)thio]butan-2-one Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)(C)C(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C11H15NO2S/c1-11(2,3)9(13)8-15-10-6-4-5-7-12(10)14/h4-7H,8H2,1-3H3