2-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]isoindoline-1,3-quinone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H20N2O2/c1-12(11-17-9-5-2-6-10-17)18-15(19)13-7-3-4-8-14(13)16(18)20/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1