6,7-dimethoxy-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-oxidanidyl-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-oxidanidyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-oxido-1-[[(R)-p-tolylsulfinyl]methyl]-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-oxido-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-oxido-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-oxido-1-[[(R)-p-tolylsulfinyl]methyl]-3,4-dihydroisoquinolin-2-ium Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC2=[N+](CCC3=CC(=C(C=C32)OC)OC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)CC2=[N+](CCC3=CC(=C(C=C32)OC)OC)[O-]

InChI

InChI=1S/C19H21NO4S/c1-13-4-6-15(7-5-13)25(22)12-17-16-11-19(24-3)18(23-2)10-14(16)8-9-20(17)21/h4-7,10-11H,8-9,12H2,1-3H3/t25-/m1/s1