(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-(2-methyl-4-oxidanyl-phenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-(2-methyl-4-oxidanyl-phenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-(4-hydroxy-2-methyl-phenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-(4-hydroxy-2-methyl-phenyl)pyrrolidine-2,5-quinone Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C2CC(=O)N(C2=O)C3=C(C=C(C=C3)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-13-6-4-5-9-19(13)16-11-17(22)20(18(16)23)15-8-7-14(21)10-12(15)2/h7-8,10,13,16,21H,3-6,9,11H2,1-2H3/p+1/t13-,16+/m0/s1