ethyl (3R)-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1,3-dioxoisoindolin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(phthalimidomethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O4/c1-2-23-17(22)12-6-5-9-18(10-12)11-19-15(20)13-7-3-4-8-14(13)16(19)21/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1