6,7-dimethoxy-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[4-(methylthio)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[4-(methylthio)benzyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H24NO2S+ MolecularWeight: 330.46436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C19H23NO2S/c1-21-18-10-15-8-9-20(13-16(15)11-19(18)22-2)12-14-4-6-17(23-3)7-5-14/h4-7,10-11H,8-9,12-13H2,1-3H3/p+1