(3S)-1-(2,6-dimethylphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(2,6-dimethylphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,6-dimethylphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,6-dimethylphenyl)-3-(4-morpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,6-dimethylphenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,6-dimethylphenyl)-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C[C@@H](C2=O)[NH+]3CCOCC3

InChI

InChI=1S/C16H20N2O3/c1-11-4-3-5-12(2)15(11)18-14(19)10-13(16(18)20)17-6-8-21-9-7-17/h3-5,13H,6-10H2,1-2H3/p+1/t13-/m0/s1