2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4-fluoro-phenyl)acetamide Formula: C20H20ClFN3OS+ MolecularWeight: 404.908703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C20H19ClFN3OS/c21-15-11-14(22)5-6-16(15)23-19(26)12-25-9-7-13(8-10-25)20-24-17-3-1-2-4-18(17)27-20/h1-6,11,13H,7-10,12H2,(H,23,26)/p+1