1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N2O2S/c19-15(12-21-16-7-3-4-9-18(16)20)17-10-8-13-5-1-2-6-14(13)11-17/h1-7,9H,8,10-12H2