tert-butyl 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)ethanoate bromide

Systemtic Name: tert-butyl 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)ethanoate bromide Openeye Name: tert-butyl 2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetate bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetic acid tert-butyl ester bromide IUPAC Name: tert-butyl 2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetate bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)acetic acid tert-butyl ester bromide Formula: C8H15BrN4O2 MolecularWeight: 279.1343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=[N+](C=N1)N.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=[N+](C=N1)N.[Br-]

InChI

InChI=1S/C8H15N4O2.BrH/c1-8(2,3)14-7(13)4-12-6-11(9)5-10-12;/h5-6H,4,9H2,1-3H3;1H/q+1;/p-1