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

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C22H22N3OS+ MolecularWeight: 376.49458

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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-2-8-16(9-3-1)20-14-17(24-26-20)15-25-13-7-6-11-19(25)22-23-18-10-4-5-12-21(18)27-22/h1-5,8-10,12,14,19H,6-7,11,13,15H2/p+1/t19-/m1/s1