2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-23-20(15-7-5-4-6-8-15)22-25(21(23)28)14-24-10-9-16-11-18(26-2)19(27-3)12-17(16)13-24/h4-8,11-12H,9-10,13-14H2,1-3H3/p+1