(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H20N3O5+ MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H19N3O5/c24-18-12-15(21-17-5-1-2-8-23(17)18)13-28-20(26)14-6-9-22(10-7-14)19(25)16-4-3-11-27-16/h1-5,8,11-12,14H,6-7,9-10,13H2/p+1