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

Systemtic Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCN1C(=NNC1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C16H22N4O2S/c1-4-20-15(17-18-16(20)23)10-19-6-5-11-7-13(21-2)14(22-3)8-12(11)9-19/h7-8H,4-6,9-10H2,1-3H3,(H,18,23)/p+1