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

Systemtic Name: N-(4-bromophenyl)-5-(2-methoxyethyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(4-bromophenyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(4-bromophenyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(4-bromophenyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-bromophenyl)-3-keto-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C22H20BrN4O3+ MolecularWeight: 468.3232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O3/c1-30-12-11-26-13-18(21(28)24-16-9-7-15(23)8-10-16)20-19(14-26)22(29)27(25-20)17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,24,28)/p+1