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

Systemtic Name: 4-tert-butyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-[2-(4-morpholin-4-iumyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(2-morpholin-4-ium-4-ylethylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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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+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC[NH+]3CCOCC3

InChI

InChI=1S/C20H28N4O3S/c1-20(2,3)16-6-4-15(5-7-16)18(25)21-14-17-22-23-19(27-17)28-13-10-24-8-11-26-12-9-24/h4-7H,8-14H2,1-3H3,(H,21,25)/p+1