[5-methyl-2-(phenylmethyl)pyrazol-2-ium-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-methyl-2-(phenylmethyl)pyrazol-2-ium-1-yl] 2,2-dimethylpropanoate Openeye Name: (2-benzyl-5-methyl-pyrazol-2-ium-1-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-methyl-2-(phenylmethyl)-1-pyrazol-2-iumyl] ester IUPAC Name: (2-benzyl-5-methylpyrazol-2-ium-1-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-benzyl-5-methyl-pyrazol-2-ium-1-yl) ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](N1OC(=O)C(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=[N+](N1OC(=O)C(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N2O2/c1-13-10-11-17(12-14-8-6-5-7-9-14)18(13)20-15(19)16(2,3)4/h5-11H,12H2,1-4H3/q+1