ethyl 1-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1S)-3-oxo-1H-isobenzofuran-1-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-3-ketophthalan-1-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H20NO4+ MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H19NO4/c1-2-20-15(18)11-7-9-17(10-8-11)14-12-5-3-4-6-13(12)16(19)21-14/h3-6,11,14H,2,7-10H2,1H3/p+1/t14-/m0/s1