tert-butyl 2-[4-(2-phenylethanoylamino)-1,2,4-triazol-4-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(2-phenylethanoylamino)-1,2,4-triazol-4-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetate CAS Name: 2-[4-[(1-oxo-2-phenylethyl)amino]-1,2,4-triazol-4-ium-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetate Traditional Name: 2-[4-[(2-phenylacetyl)amino]-1,2,4-triazol-4-ium-1-yl]acetic acid tert-butyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=[N+](C=N1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=[N+](C=N1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)10-19-12-20(11-17-19)18-14(21)9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3/p+1