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

Systemtic Name: ethyl 1-[[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H27N2O6+ MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC

InChI

InChI=1S/C21H26N2O6/c1-3-27-20(25)14-7-9-23(10-8-14)13-15-11-19(24)29-18-12-16(5-6-17(15)18)22-21(26)28-4-2/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3,(H,22,26)/p+1