ethyl (2R)-1-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C19H24NO5+ MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C19H23NO5/c1-3-24-19(23)15-6-4-5-9-20(15)11-13-10-17(22)25-18-12(2)16(21)8-7-14(13)18/h7-8,10,15,21H,3-6,9,11H2,1-2H3/p+1/t15-/m1/s1