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

Systemtic Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazole-2-thione Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)OC(=N3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)OC(=N3)C4=CC=CS4)OC

InChI

InChI=1S/C18H19N3O3S2/c1-22-14-8-12-5-6-20(10-13(12)9-15(14)23-2)11-21-18(25)24-17(19-21)16-4-3-7-26-16/h3-4,7-9H,5-6,10-11H2,1-2H3/p+1