(5-pyridin-4-yl-2H-1,2,3,4-tetrazol-1-ium-1-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (5-pyridin-4-yl-2H-1,2,3,4-tetrazol-1-ium-1-yl)methyl 2,2-dimethylpropanoate Openeye Name: [5-(4-pyridyl)-2H-tetrazol-1-ium-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (5-pyridin-4-yl-2H-tetrazol-1-ium-1-yl)methyl ester IUPAC Name: (5-pyridin-4-yl-2H-tetrazol-1-ium-1-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(4-pyridyl)-2H-tetrazol-1-ium-1-yl]methyl ester Formula: C12H16N5O2+ MolecularWeight: 262.28774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC[N+]1=C(N=NN1)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C(=O)OC[N+]1=C(N=NN1)C2=CC=NC=C2

InChI

InChI=1S/C12H15N5O2/c1-12(2,3)11(18)19-8-17-10(14-15-16-17)9-4-6-13-7-5-9/h4-7H,8H2,1-3H3/p+1