2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C21H20ClN4OS+ MolecularWeight: 411.9277

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C21H19ClN4OS/c22-15-9-8-14(12-23)17(11-15)24-20(27)13-26-10-4-3-6-18(26)21-25-16-5-1-2-7-19(16)28-21/h1-2,5,7-9,11,18H,3-4,6,10,13H2,(H,24,27)/p+1/t18-/m1/s1