(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[(3R)-3-methylolpiperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC(=O)N(C2=O)C3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@H](C[NH+](C1)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3)CO

InChI

InChI=1S/C16H20N2O3/c19-11-12-5-4-8-17(10-12)14-9-15(20)18(16(14)21)13-6-2-1-3-7-13/h1-3,6-7,12,14,19H,4-5,8-11H2/p+1/t12-,14-/m1/s1