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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C19H23NO5/c1-3-24-19(23)13-6-8-20(9-7-13)11-14-10-17(22)25-18-12(2)16(21)5-4-15(14)18/h4-5,10,13,21H,3,6-9,11H2,1-2H3/p+1