2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethyl]isoindole-1,3-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N3O2S/c26-21-15-7-1-2-8-16(15)22(27)25(21)14-13-24-12-6-5-10-18(24)20-23-17-9-3-4-11-19(17)28-20/h1-4,7-9,11,18H,5-6,10,12-14H2/p+1/t18-/m1/s1