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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-5-(4-piperidin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Formula: C14H16Cl2N3OS+ MolecularWeight: 345.26734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N3OS/c15-11-2-1-9(7-12(11)16)8-21-14-19-18-13(20-14)10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2/p+1