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

Systemtic Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OCC)OCC

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OCC)OCC

InChI

InChI=1S/C18H26N4O2S/c1-4-21-12-19-22(18(21)25)13-20-8-7-14-9-16(23-5-2)17(24-6-3)10-15(14)11-20/h9-10,12H,4-8,11,13H2,1-3H3/p+1