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

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C17H24N4O2S/c1-12(2)20-10-18-21(17(20)24)11-19-6-5-13-7-15(22-3)16(23-4)8-14(13)9-19/h7-8,10,12H,5-6,9,11H2,1-4H3/p+1