N-(4-bromanyl-3-methyl-phenyl)-5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-keto-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C21H18BrN4O2+ MolecularWeight: 438.29722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C3C(=C[N+](=C2)C)C(=O)N(N3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C3C(=C[N+](=C2)C)C(=O)N(N3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H17BrN4O2/c1-13-10-14(8-9-18(13)22)23-20(27)16-11-25(2)12-17-19(16)24-26(21(17)28)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)/p+1