2-[2-[(3R,6R)-6-pyridin-2-ylpiperidin-1-ium-3-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(3R,6R)-6-pyridin-2-ylpiperidin-1-ium-3-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(3R,6R)-6-(2-pyridyl)piperidin-1-ium-3-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3R,6R)-6-(2-pyridinyl)-3-piperidin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(3R,6R)-6-pyridin-2-ylpiperidin-1-ium-3-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3R,6R)-6-(2-pyridyl)piperidin-1-ium-3-yl]ethyl]isoindoline-1,3-quinone Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]CC1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4

Isomeric SMILES

C1C[C@@H]([NH2+]C[C@H]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4

InChI

InChI=1S/C20H21N3O2/c24-19-15-5-1-2-6-16(15)20(25)23(19)12-10-14-8-9-18(22-13-14)17-7-3-4-11-21-17/h1-7,11,14,18,22H,8-10,12-13H2/p+1/t14-,18-/m1/s1