tert-butyl 2-[4-[methyl(2-phenylethanoyl)amino]-1,2,4-triazol-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[methyl(2-phenylethanoyl)amino]-1,2,4-triazol-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate CAS Name: 2-[4-[methyl-(1-oxo-2-phenylethyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate Traditional Name: 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid tert-butyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1=CN(C=N1)N(C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1=CN(C=N1)N(C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N4O3/c1-17(2,3)24-16(23)11-20-13-21(12-18-20)19(4)15(22)10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3/q+1