2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Formula: C20H20N3OS2+ MolecularWeight: 382.5223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3OS2/c24-20-14-7-1-3-10-17(14)26-23(20)13-22-12-6-5-9-16(22)19-21-15-8-2-4-11-18(15)25-19/h1-4,7-8,10-11,16H,5-6,9,12-13H2/p+1/t16-/m1/s1