ethyl 1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-oxo-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-ketochromen-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=COC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21NO4/c1-2-22-18(21)13-7-9-19(10-8-13)11-14-12-23-16-6-4-3-5-15(16)17(14)20/h3-6,12-13H,2,7-11H2,1H3/p+1