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

Systemtic Name: 2-[3-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3S)-3-hydroxy-1-piperidin-1-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propyl]isoindoline-1,3-quinone Formula: C16H21N2O3+ MolecularWeight: 289.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H20N2O3/c19-12-5-3-8-17(11-12)9-4-10-18-15(20)13-6-1-2-7-14(13)16(18)21/h1-2,6-7,12,19H,3-5,8-11H2/p+1/t12-/m0/s1