2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C20H29N4O3S2+ MolecularWeight: 437.59926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H28N4O3S2/c25-29(26,24-12-5-2-6-13-24)18-9-7-8-17(16-18)19-21-22-20(27-19)28-15-14-23-10-3-1-4-11-23/h7-9,16H,1-6,10-15H2/p+1