[5-oxidanylidene-4-(2-piperidin-1-ium-1-ylethanoyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-yl] ethanoate

Systemtic Name: [5-oxidanylidene-4-(2-piperidin-1-ium-1-ylethanoyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-yl] ethanoate Openeye Name: [5-oxo-4-(2-piperidin-1-ium-1-ylacetyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-yl] acetate CAS Name: acetic acid [5-oxo-4-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-9-yl] ester IUPAC Name: [5-oxo-4-(2-piperidin-1-ium-1-ylacetyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-yl] acetate Traditional Name: acetic acid [5-keto-4-(2-piperidin-1-ium-1-ylacetyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-9-yl] ester Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)OC(=O)C3=C2CCCN3C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C21H24N2O5/c1-14(24)27-15-7-8-18-17(12-15)16-6-5-11-23(20(16)21(26)28-18)19(25)13-22-9-3-2-4-10-22/h7-8,12H,2-6,9-11,13H2,1H3/p+1