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

Systemtic Name: 3-(phenoxymethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(phenoxymethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-(phenoxymethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-(phenoxymethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(phenoxymethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2/c1-2-8-17(9-3-1)23-14-18-20-19(24-21-18)13-22-11-10-15-6-4-5-7-16(15)12-22/h1-9H,10-14H2/p+1