N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H24N4O2/c1-15-4-6-17(7-5-15)26-20-13-22(2,3)12-19(18(20)14-23-26)24-21(27)16-8-10-25(28)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)