(3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-morpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-morpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C22H22N3O3S+ MolecularWeight: 408.49338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)[NH+]5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C[C@@H](C4=O)[NH+]5CCOCC5

InChI

InChI=1S/C22H21N3O3S/c1-14-2-7-17-19(12-14)29-21(23-17)15-3-5-16(6-4-15)25-20(26)13-18(22(25)27)24-8-10-28-11-9-24/h2-7,12,18H,8-11,13H2,1H3/p+1/t18-/m0/s1