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

Systemtic Name: methyl 1-[(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H25N4O4+ MolecularWeight: 409.4583

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-3-24-13-17(20(27)25-11-9-15(10-12-25)22(29)30-2)19-18(14-24)21(28)26(23-19)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3/p+1