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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=COC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21NO4/c1-2-22-18(21)13-6-5-9-19(10-13)11-14-12-23-16-8-4-3-7-15(16)17(14)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3/p+1/t13-/m0/s1