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

Systemtic Name: 6,7-dimethoxy-2-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[2-(methylthio)-1-benzimidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[[2-(methylthio)benzimidazol-1-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4N=C3SC)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4N=C3SC)OC

InChI

InChI=1S/C20H23N3O2S/c1-24-18-10-14-8-9-22(12-15(14)11-19(18)25-2)13-23-17-7-5-4-6-16(17)21-20(23)26-3/h4-7,10-11H,8-9,12-13H2,1-3H3/p+1