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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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