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

Systemtic Name: (3S)-1-(4-methylphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(p-tolyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methylphenyl)-3-(4-thiomorpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methylphenyl)-3-thiomorpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(p-tolyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C15H19N2O2S+ MolecularWeight: 291.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-11-2-4-12(5-3-11)17-14(18)10-13(15(17)19)16-6-8-20-9-7-16/h2-5,13H,6-10H2,1H3/p+1/t13-/m0/s1