N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

Systemtic Name: N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: N-[[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: N-[[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c22-16(14-7-3-1-4-8-14)18-13-15-19-20-17(23-15)24-12-11-21-9-5-2-6-10-21/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,22)/p+1