ethyl 4-(4,6-dimethyl-3-oxidanylidene-1H-pyrazolo[4,3-c]pyridin-5-ium-2-yl)benzoate chloride

Systemtic Name: ethyl 4-(4,6-dimethyl-3-oxidanylidene-1H-pyrazolo[4,3-c]pyridin-5-ium-2-yl)benzoate chloride Openeye Name: ethyl 4-(4,6-dimethyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-5-ium-2-yl)benzoate chloride CAS Name: 4-(4,6-dimethyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-5-ium-2-yl)benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-(4,6-dimethyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-5-ium-2-yl)benzoate chloride Traditional Name: 4-(3-keto-4,6-dimethyl-1H-pyrazolo[4,3-c]pyridin-5-ium-2-yl)benzoic acid ethyl ester chloride Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C([NH+]=C(C=C3N2)C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C([NH+]=C(C=C3N2)C)C.[Cl-]

InChI

InChI=1S/C17H17N3O3.ClH/c1-4-23-17(22)12-5-7-13(8-6-12)20-16(21)15-11(3)18-10(2)9-14(15)19-20;/h5-9,19H,4H2,1-3H3;1H