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

Systemtic Name: methyl 1-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(5-methyl-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-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-keto-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)isonipecotic acid methyl ester Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-23-12-16(19(26)24-10-8-14(9-11-24)21(28)29-2)18-17(13-23)20(27)25(22-18)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3/p+1