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

Systemtic Name: tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H23N4O3+ MolecularWeight: 283.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=NO1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H22N4O3/c1-10-14-11(15-20-10)9-16-5-7-17(8-6-16)12(18)19-13(2,3)4/h5-9H2,1-4H3/p+1