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

Systemtic Name: ethyl (3S)-1-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(7-hydroxy-2-keto-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C18H21NO5/c1-2-23-18(22)12-4-3-7-19(10-12)11-13-8-17(21)24-16-9-14(20)5-6-15(13)16/h5-6,8-9,12,20H,2-4,7,10-11H2,1H3/p+1/t12-/m0/s1