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

Systemtic Name: methyl 1-[[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H24N2O6/c1-3-27-20(25)21-15-4-5-16-14(10-18(23)28-17(16)11-15)12-22-8-6-13(7-9-22)19(24)26-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,21,25)/p+1