2-(2-bromophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2-bromophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(2-bromophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(2-bromophenyl)-5-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(2-bromophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(2-bromophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C22H25BrN3O+ MolecularWeight: 427.3574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C22H24BrN3O/c23-20-9-5-4-8-19(20)22-25-24-21(27-22)16-26-14-12-18(13-15-26)11-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2/p+1