ethyl 1-[(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(5-ethyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)isonipecotic acid ethyl ester Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C23H26N4O4/c1-3-25-14-18(21(28)26-12-10-16(11-13-26)23(30)31-4-2)20-19(15-25)22(29)27(24-20)17-8-6-5-7-9-17/h5-9,14-16H,3-4,10-13H2,1-2H3/p+1