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

Systemtic Name: ethyl (3S)-1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-phthalimidoethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H22N2O4/c1-2-24-18(23)13-6-5-9-19(12-13)10-11-20-16(21)14-7-3-4-8-15(14)17(20)22/h3-4,7-8,13H,2,5-6,9-12H2,1H3/p+1/t13-/m0/s1