N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H16N4O2/c1-12-16(18-17(22)14-7-6-10-20(23)11-14)13(2)21(19-12)15-8-4-3-5-9-15/h3-11H,1-2H3,(H,18,22)