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

Systemtic Name: 5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC(=NO3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC(=NO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H21N3O3/c1-24-17-10-15-8-9-23(12-16(15)11-18(17)25-2)13-19-21-20(22-26-19)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3/p+1