(3S)-1-(4-methylphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-methylphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methylphenyl)-3-[(2S)-2-methyl-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methylphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-12-6-8-14(9-7-12)19-16(20)11-15(17(19)21)18-10-4-3-5-13(18)2/h6-9,13,15H,3-5,10-11H2,1-2H3/p+1/t13-,15-/m0/s1