tert-butyl 4-[(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C(=O)OC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C(=O)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H22N4O4S/c1-16(2,3)24-14(21)19-8-6-18(7-9-19)11-20-15(22)23-13(17-20)12-5-4-10-25-12/h4-5,10H,6-9,11H2,1-3H3/p+1