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

Systemtic Name: (3S)-1-(2,4-dimethylphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,4-dimethylphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,4-dimethylphenyl)-3-thiomorpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,4-dimethylphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCSCC3)C

InChI

InChI=1S/C16H20N2O2S/c1-11-3-4-13(12(2)9-11)18-15(19)10-14(16(18)20)17-5-7-21-8-6-17/h3-4,9,14H,5-8,10H2,1-2H3/p+1/t14-/m0/s1