3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole 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)CC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C20H19N3OS2/c1-2-8-18-15(6-1)21-20(26-18)16-7-3-4-10-23(16)13-14-12-17(24-22-14)19-9-5-11-25-19/h1-2,5-6,8-9,11-12,16H,3-4,7,10,13H2/p+1/t16-/m1/s1