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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C23H22BrN4O2+ MolecularWeight: 466.35038

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)C

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)C

InChI

InChI=1S/C23H21BrN4O2/c1-3-11-27-13-18(22(29)25-20-10-9-16(24)12-15(20)2)21-19(14-27)23(30)28(26-21)17-7-5-4-6-8-17/h4-10,12-14H,3,11H2,1-2H3,(H,25,29)/p+1