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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O2S/c1-13(22-16-8-4-5-10-19(16)21)17(20)18-11-9-14-6-2-3-7-15(14)12-18/h2-8,10,13H,9,11-12H2,1H3