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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4OS/c22-13-16-5-1-2-6-17(16)23-20(26)14-25-11-9-15(10-12-25)21-24-18-7-3-4-8-19(18)27-21/h1-8,15H,9-12,14H2,(H,23,26)/p+1