3-pyridin-2-yl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-pyridin-2-yl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(2-pyridyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-(2-pyridinyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-pyridin-2-yl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(2-pyridyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Formula: C17H17N4O+ MolecularWeight: 293.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=NO3)C4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=NO3)C4=CC=CC=N4

InChI

InChI=1S/C17H16N4O/c1-2-6-14-11-21(10-8-13(14)5-1)12-16-19-17(20-22-16)15-7-3-4-9-18-15/h1-7,9H,8,10-12H2/p+1