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

Systemtic Name: tert-butyl 2-[4-[ethanoyl(methyl)amino]-1,2,4-triazol-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[acetyl(methyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate CAS Name: 2-[4-[acetyl(methyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[acetyl(methyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate Traditional Name: 2-[4-[acetyl(methyl)amino]-1,2,4-triazol-1-ium-1-yl]acetic acid tert-butyl ester Formula: C11H19N4O3+ MolecularWeight: 255.29356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)N1C=N[N+](=C1)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(C)N1C=N[N+](=C1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C11H19N4O3/c1-9(16)13(5)15-7-12-14(8-15)6-10(17)18-11(2,3)4/h7-8H,6H2,1-5H3/q+1