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

Systemtic Name: (3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2O2/c1-12-7-5-6-10-17(12)14-11-15(19)18(16(14)20)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/p+1/t12-,14+/m0/s1