ethyl (3S)-1-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24NO5+ MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C19H23NO5/c1-3-24-19(23)13-5-4-8-20(10-13)11-14-9-17(22)25-18-12(2)16(21)7-6-15(14)18/h6-7,9,13,21H,3-5,8,10-11H2,1-2H3/p+1/t13-/m0/s1