ethyl (2R)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(6-methyl-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(4-keto-6-methyl-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C19H24NO4+ MolecularWeight: 330.39816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C19H23NO4/c1-3-23-19(22)16-6-4-5-9-20(16)11-14-12-24-17-8-7-13(2)10-15(17)18(14)21/h7-8,10,12,16H,3-6,9,11H2,1-2H3/p+1/t16-/m1/s1