tert-butyl 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[3-(1,3-dioxoisoindolin-2-yl)propyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[3-(1,3-dioxo-2-isoindolyl)propyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-(3-phthalimidopropyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H29N2O4/c1-21(2,3)27-20(26)23(13-7-4-8-14-23)15-9-12-22-18(24)16-10-5-6-11-17(16)19(22)25/h5-6,10-11H,4,7-9,12-15H2,1-3H3/q+1