propan-2-yl 2-azanyl-6-(hydroxymethyl)-8-oxidanylidene-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-b]pyran-3-carboxylate

Systemtic Name: propan-2-yl 2-azanyl-6-(hydroxymethyl)-8-oxidanylidene-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-b]pyran-3-carboxylate Openeye Name: isopropyl 2-amino-6-(hydroxymethyl)-8-oxo-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-b]pyran-3-carboxylate CAS Name: 2-amino-6-(hydroxymethyl)-8-oxo-4-(3-pyridin-1-iumyl)-4H-pyrano[3,2-b]pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-b]pyran-3-carboxylate Traditional Name: 2-amino-8-keto-6-methylol-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-b]pyran-3-carboxylic acid isopropyl ester Formula: C18H19N2O6+ MolecularWeight: 359.35326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(OC2=C(C1C3=C[NH+]=CC=C3)OC(=CC2=O)CO)N

Isomeric SMILES

CC(C)OC(=O)C1=C(OC2=C(C1C3=C[NH+]=CC=C3)OC(=CC2=O)CO)N

InChI

InChI=1S/C18H18N2O6/c1-9(2)24-18(23)14-13(10-4-3-5-20-7-10)16-15(26-17(14)19)12(22)6-11(8-21)25-16/h3-7,9,13,21H,8,19H2,1-2H3/p+1