ethyl 1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C20H25NO4/c1-4-24-20(23)15-7-9-21(10-8-15)12-16-11-18(22)25-19-14(3)13(2)5-6-17(16)19/h5-6,11,15H,4,7-10,12H2,1-3H3/p+1