Catalog Number:
AG003O3D
Chemical Name:
Benzyl (s)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt
CAS Number:
77497-97-3
Molecular Formula:
C24H25NO5S
Molecular Weight:
439.5240
MDL Number:
MFCD03419265
IUPAC Name:
benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
InChI Key:
PSMBIFNNFMRIMV-NTISSMGPSA-N
SMILES:
O=C([C@H]1NCc2c(C1)cccc2)OCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
