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

Systemtic Name: 2-(4-nitrophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-oxadiazole Formula: C15H19N4O3S+ MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c20-19(21)13-6-4-12(5-7-13)14-16-17-15(22-14)23-11-10-18-8-2-1-3-9-18/h4-7H,1-3,8-11H2/p+1