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

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C=N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C=N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H22N4O2S/c1-25-18-10-15-8-9-22(12-16(15)11-19(18)26-2)14-24-20(27)23(13-21-24)17-6-4-3-5-7-17/h3-7,10-11,13H,8-9,12,14H2,1-2H3/p+1