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

Systemtic Name: 2-(4-bromophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(4-bromophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-(4-bromophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(4-bromophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-(4-bromophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole Formula: C18H17BrN3O+ MolecularWeight: 371.25108

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H16BrN3O/c19-16-7-5-14(6-8-16)18-21-20-17(23-18)12-22-10-9-13-3-1-2-4-15(13)11-22/h1-8H,9-12H2/p+1