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

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]isoindole-1,3-dione Openeye Name: 2-[(3S)-piperidin-1-ium-3-yl]isoindoline-1,3-dione CAS Name: 2-[(3S)-3-piperidin-1-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]isoindole-1,3-dione Traditional Name: 2-[(3S)-piperidin-1-ium-3-yl]isoindoline-1,3-quinone Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H14N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2/p+1/t9-/m0/s1