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

Systemtic Name: 4-tert-butyl-N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC[NH+]3CCCCC3

InChI

InChI=1S/C21H30N4O2S/c1-21(2,3)17-9-7-16(8-10-17)19(26)22-15-18-23-24-20(27-18)28-14-13-25-11-5-4-6-12-25/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)/p+1