methyl 1-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24NO5+ MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C19H23NO5/c1-3-12-8-15-14(9-18(22)25-17(15)10-16(12)21)11-20-6-4-13(5-7-20)19(23)24-2/h8-10,13,21H,3-7,11H2,1-2H3/p+1