2-[(3-bromophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole CAS Name: 2-[(3-bromophenyl)methylthio]-5-(4-piperidin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Traditional Name: 2-[(3-bromobenzyl)thio]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Formula: C14H17BrN3OS+ MolecularWeight: 355.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NN=C(O2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1C[NH2+]CCC1C2=NN=C(O2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C14H16BrN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2/p+1