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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4/c1-3-23-19(22)14-6-8-20(9-7-14)12-15-11-18(21)24-17-5-4-13(2)10-16(15)17/h4-5,10-11,14H,3,6-9,12H2,1-2H3/p+1