(3R,4S)-3-methyl-1-(4-methylphenyl)-4-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R,4S)-3-methyl-1-(4-methylphenyl)-4-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R,4S)-3-methyl-4-piperidin-1-ium-1-yl-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3R,4S)-3-methyl-1-(4-methylphenyl)-4-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R,4S)-3-methyl-1-(4-methylphenyl)-4-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R,4S)-3-methyl-4-piperidin-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:

CC1C(C(=O)N(C1=O)C2=CC=C(C=C2)C)[NH+]3CCCCC3

Isomeric SMILES

C[C@@H]1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)C)[NH+]3CCCCC3

InChI

InChI=1S/C17H22N2O2/c1-12-6-8-14(9-7-12)19-16(20)13(2)15(17(19)21)18-10-4-3-5-11-18/h6-9,13,15H,3-5,10-11H2,1-2H3/p+1/t13-,15+/m1/s1