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

Systemtic Name: 3-(furan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(2-furyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-(2-furanyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-(furan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(2-furyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Formula: C16H16N3O2+ MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=NO3)C4=CC=CO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=NO3)C4=CC=CO4

InChI

InChI=1S/C16H15N3O2/c1-2-5-13-10-19(8-7-12(13)4-1)11-15-17-16(18-21-15)14-6-3-9-20-14/h1-6,9H,7-8,10-11H2/p+1