1-(3,4-dimethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-])OC

InChI

InChI=1S/C15H15NO4S/c1-19-13-7-6-11(9-14(13)20-2)12(17)10-21-15-5-3-4-8-16(15)18/h3-9H,10H2,1-2H3