(3R)-3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C22H22N3O2S+ MolecularWeight: 392.49398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O2S/c26-20-13-18(22(27)25(20)16-8-2-1-3-9-16)24-12-6-7-15(14-24)21-23-17-10-4-5-11-19(17)28-21/h1-5,8-11,15,18H,6-7,12-14H2/p+1/t15-,18-/m1/s1