1-[2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[2-[(4-methoxyphenyl)methyl]-1-oxido-pyrazol-1-ium-3-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[2-[(4-methoxyphenyl)methyl]-1-oxido-3-pyrazol-1-iumyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[2-[(4-methoxyphenyl)methyl]-1-oxidopyrazol-1-ium-3-yl]-2,2-dimethylpropan-1-one Traditional Name: 2,2-dimethyl-1-(1-oxido-2-p-anisyl-pyrazol-1-ium-3-yl)propan-1-one Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC=[N+](N1CC2=CC=C(C=C2)OC)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C1=CC=[N+](N1CC2=CC=C(C=C2)OC)[O-]

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)15(19)14-9-10-18(20)17(14)11-12-5-7-13(21-4)8-6-12/h5-10H,11H2,1-4H3